4-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]carbonyloxy-3-oxidanyl-4-oxidanylidene-3-sulfo-butanoic acid

Systemtic Name: 4-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]carbonyloxy-3-oxidanyl-4-oxidanylidene-3-sulfo-butanoic acid Openeye Name: 4-[3-(2,5-dioxopyrrol-1-yl)benzoyl]oxy-3-hydroxy-4-oxo-3-sulfo-butanoic acid CAS Name: 4-[[3-(2,5-dioxo-1-pyrrolyl)phenyl]-oxomethoxy]-3-hydroxy-4-oxo-3-sulfobutanoic acid IUPAC Name: 4-[3-(2,5-dioxopyrrol-1-yl)benzoyl]oxy-3-hydroxy-4-oxo-3-sulfobutanoic acid Traditional Name: 3-hydroxy-4-keto-4-(3-maleimidobenzoyl)oxy-3-sulfo-butyric acid Formula: C15H11NO11S MolecularWeight: 413.31294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C=CC2=O)C(=O)OC(=O)C(CC(=O)O)(O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C=CC2=O)C(=O)OC(=O)C(CC(=O)O)(O)S(=O)(=O)O

InChI

InChI=1S/C15H11NO11S/c17-10-4-5-11(18)16(10)9-3-1-2-8(6-9)13(21)27-14(22)15(23,7-12(19)20)28(24,25)26/h1-6,23H,7H2,(H,19,20)(H,24,25,26)