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32582-78-8

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Basic Information
CAS No.: 32582-78-8
Name: disodium hydrogen 5-[[4-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino]-2-sulphonatophenyl]amino]-6-anilino-1,3,5-triazin-2-yl]amino]phenyl]azo]salicylate
Molecular Structure:
Molecular Structure of 32582-78-8 (disodium hydrogen 5-[[4-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino]-2-sulphonatophenyl]amino]-6-anilino-1,3,5-triazin-2-yl]amino]phenyl]azo]salicylate)
Formula: C42H30N10O11S2.2Na
Molecular Weight: 958.8417
Synonyms: Benzoicacid,5-[[4-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-2-sulfophenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]phenyl]azo]-2-hydroxy-,disodium salt (9CI);Salicylic acid,5-[[p-[[4-[4-[(4-amino-3-sulfo-1-anthraquinonyl)amino]-2-sulfoanilino]-6-anilino-s-triazin-2-yl]amino]phenyl]azo]-,disodium salt (8CI);
EINECS: 251-112-3
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Specification

The Benzoicacid,5-[2-[4-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-2-sulfophenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-2-hydroxy-,sodium salt (1:2), with the CAS registry number 32582-78-8, is also known as Sodium hydrogen 5-[(4-{[4-({4-[(4-amino-9,10-dioxo-3-sulfonato-9,10-dihydroanthracen-1-yl)amino]-2-sulfonatophenyl}amino)-6-anilino-1,3,5-triazin-2-yl]amino}phenyl)diazenyl]-2-hydroxybenzoate (2:1:1). Its EINECS registry number is 251-112-3. This chemical's molecular formula is C42H30N10O11S2.2Na and molecular weight is 958.8417. Its systematic name is called disodium; 5-[4-[[4-[[4-[(4-amino-9,10-dioxo-3-sulfonato-1-anthryl)amino]-2-sulfonato-phenyl]amino]-6-anilino-1,3,5-triazin-2-yl]amino]phenyl]azo-2-hydroxy-benzoate; hydron.

Physical properties of Benzoicacid,5-[2-[4-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-2-sulfophenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-2-hydroxy-,sodium salt (1:2): (1)#H bond acceptors: 21; (2)#H bond donors: 10; (3)#Freely Rotating Bonds: 12; (4)Polar Surface Area: 363.19 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [H+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2)Nc7nc(nc(Nc6ccc(Nc5cc(c(N)c4C(=O)c3ccccc3C(=O)c45)S([O-])(=O)=O)cc6S([O-])(=O)=O)n7)Nc8ccccc8
(2)InChI: InChI=1/C42H30N10O11S2.2Na/c43-36-33(65(61,62)63)20-30(34-35(36)38(55)27-9-5-4-8-26(27)37(34)54)44-24-14-16-29(32(19-24)64(58,59)60)47-42-49-40(45-21-6-2-1-3-7-21)48-41(50-42)46-22-10-12-23(13-11-22)51-52-25-15-17-31(53)28(18-25)39(56)57;;/h1-20,44,53H,43H2,(H,56,57)(H,58,59,60)(H,61,62,63)(H3,45,46,47,48,49,50);;/q;2*+1/p-2
(3)InChIKey: DSLMAOFDWWGUEI-NUQVWONBAT