2-(3-azanyl-6-azanylidene-4,5-disulfo-xanthen-9-yl)-4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxycarbonyl-benzoic acid

Systemtic Name: 2-(3-azanyl-6-azanylidene-4,5-disulfo-xanthen-9-yl)-4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxycarbonyl-benzoic acid Openeye Name: 2-(3-amino-6-imino-4,5-disulfo-xanthen-9-yl)-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-benzoic acid CAS Name: 2-(3-amino-6-imino-4,5-disulfo-9-xanthenyl)-4-[(2,5-dioxo-1-pyrrolidinyl)oxy-oxomethyl]benzoic acid IUPAC Name: 2-(3-amino-6-imino-4,5-disulfoxanthen-9-yl)-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylbenzoic acid Traditional Name: 2-(3-amino-6-imino-4,5-disulfo-xanthen-9-yl)-4-succinimidooxycarbonyl-benzoic acid Formula: C25H17N3O13S2 MolecularWeight: 631.54478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)OC(=O)C2=CC(=C(C=C2)C(=O)O)C3=C4C=CC(=N)C(=C4OC5=C3C=CC(=C5S(=O)(=O)O)N)S(=O)(=O)O

Isomeric SMILES

C1CC(=O)N(C1=O)OC(=O)C2=CC(=C(C=C2)C(=O)O)C3=C4C=CC(=N)C(=C4OC5=C3C=CC(=C5S(=O)(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C25H17N3O13S2/c26-15-5-3-12-19(13-4-6-16(27)23(43(37,38)39)21(13)40-20(12)22(15)42(34,35)36)14-9-10(1-2-11(14)24(31)32)25(33)41-28-17(29)7-8-18(28)30/h1-6,9,26H,7-8,27H2,(H,31,32)(H,34,35,36)(H,37,38,39)