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194785-18-7

Basic Information
CAS No.: 194785-18-7
Name: 1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium,9-(2,5-dicarboxyphenyl)-2,3,6,7,12,13,16,17-octahydro-, inner salt
Molecular Structure:
Molecular Structure of 194785-18-7 (1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium,9-(2,5-dicarboxyphenyl)-2,3,6,7,12,13,16,17-octahydro-, inner salt)
Formula: C33H30N2O5
Molecular Weight: 534.6
Synonyms: 6-Carboxy-X-rhodamine;6-ROX;
EINECS:
Density:
Melting Point:
Boiling Point:
Flash Point:
Solubility:
Appearance:
Hazard Symbols: IrritantXiHarmfulXn
Risk Codes: 36/37/38-48/20/22-40-36/38-22
Safety: 26-36/37
Transport Information:
PSA: 97.05000
LogP: 5.12340
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Specification

The cas register number of 6-Carboxy-X-rhodamine is 194785-18-7. It also can be called as 6-Carboxy-x-rhodamine (single isomer) and the Systematic name about this chemical is 4-carboxy-3-(2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium-9-yl)benzoate.

Physical properties about 6-Carboxy-X-rhodamine are: (1)H bond acceptors: 7; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 79.08Å2.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. Ansd it is harmful: danger of serious damage to health by prolonged exposure if swallowed and by inhalation. If people in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. So people must war suitable protective clothing and gloves.

People can use the following data to convert to the molecule structure.
1.SMILES: [O-]C(=O)c8cc(C=1c5c(OC=3C=1\C=C2/C\4=[N+](\CCC2)CCCC=3/4)c7c6c(c5)CCCN6CCC7)c(C(=O)O)cc8
2.InChI: InChI=1/C33H30N2O5/c36-32(37)20-9-10-21(33(38)39)24(17-20)27-25-15-18-5-1-11-34-13-3-7-22(28(18)34)30(25)40-31-23-8-4-14-35-12-2-6-19(29(23)35)16-26(27)31/h9-10,15-17H,1-8,11-14H2,(H-,36,37,38,39) 
3.InChIKey: WQZIDRAQTRIQDX-UHFFFAOYAU
4.Std. InChI: InChI=1S/C33H30N2O5/c36-32(37)20-9-10-21(33(38)39)24(17-20)27-25-15-18-5-1-11-34-13-3-7-22(28(18)34)30(25)40-31-23-8-4-14-35-12-2-6-19(29(23)35)16-26(27)31/h9-10,15-17H,1-8,11-14H2,(H-,36,37,38,39).