3-azanyl-6-azanylidene-9-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxycarbonyl-2-carboxy-phenyl]xanthene-4,5-disulfonate

Systemtic Name: 3-azanyl-6-azanylidene-9-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxycarbonyl-2-carboxy-phenyl]xanthene-4,5-disulfonate Openeye Name: 3-amino-9-[2-carboxy-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-phenyl]-6-imino-xanthene-4,5-disulfonate CAS Name: 3-amino-9-[2-carboxy-4-[(2,5-dioxo-1-pyrrolidinyl)oxy-oxomethyl]phenyl]-6-iminoxanthene-4,5-disulfonate IUPAC Name: 3-amino-9-[2-carboxy-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]-6-iminoxanthene-4,5-disulfonate Traditional Name: 3-amino-9-(2-carboxy-4-succinimidooxycarbonyl-phenyl)-6-imino-xanthene-4,5-disulfonate Formula: C25H15N3O13S2-2 MolecularWeight: 629.5289

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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