Butanedioic acid,2-sulfo-, 1-[1-methyl-2-[(1-oxo-9-octadecen-1-yl)amino]ethyl] ester, sodiumsalt (1:2)

The Butanedioic acid,2-sulfo-, 1-[1-methyl-2-[(1-oxo-9-octadecen-1-yl)amino]ethyl] ester, sodiumsalt (1:2), with the CAS registry number 43154-85-4, is also known as 1-(1-Methyl-2-((1-oxo-9-octadecenyl)amino)ethyl)sulfobutanedioic acid, disodium salt. Its EINECS registry number is 256-120-0. This chemical's molecular formula is C₂₅H₄₃NNa₂O₈S and molecular weight is 563.250477. Its IUPAC name is called disodium 4-[1-[[(E)-octadec-9-enoyl]amino]propan-2-yloxy]-4-oxo-3-sulfonatobutanoate.

Physical properties of Butanedioic acid,2-sulfo-, 1-[1-methyl-2-[(1-oxo-9-octadecen-1-yl)amino]ethyl] ester, sodiumsalt (1:2): (1)H-Bond Donor: 1; (2)H-Bond Acceptor: 8; (3)Rotatable Bond Count: 21; (4)Tautomer Count: 2; (5)Exact Mass: 563.250477; (6)MonoIsotopic Mass: 563.250477; (7)Topological Polar Surface Area: 161; (8)Heavy Atom Count: 37; (9)Formal Charge: 0; (10)Complexity: 711; (11)Undefined Atom StereoCenter Count: 2; (12)Defined Bond StereoCenter Count: 1; (13)Undefined Bond StereoCenter Count: 0; (14)Covalently-Bonded Unit Count: 3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)NCC(C)OC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
(2)Isomeric SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)NCC(C)OC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
(3)InChI: InChI=1S/C25H45NO8S.2Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)26-20-21(2)34-25(30)22(19-24(28)29)35(31,32)33;;/h10-11,21-22H,3-9,12-20H2,1-2H3,(H,26,27)(H,28,29)(H,31,32,33);;/q;2*+1/p-2/b11-10+
(4)InChIKey: KUZLAYSZNFYDFT-BGNBUWATSA-L