5-[bis[[2,5-bis(oxidanylidene)pyrrol-1-yl]carbonylamino]methyl]-3-methoxy-2-oxidanyl-benzenesulfonic acid

Systemtic Name: 5-[bis[[2,5-bis(oxidanylidene)pyrrol-1-yl]carbonylamino]methyl]-3-methoxy-2-oxidanyl-benzenesulfonic acid Openeye Name: 5-[bis[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]-2-hydroxy-3-methoxy-benzenesulfonic acid CAS Name: 5-[bis[[(2,5-dioxo-1-pyrrolyl)-oxomethyl]amino]methyl]-2-hydroxy-3-methoxybenzenesulfonic acid IUPAC Name: 5-[bis[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]-2-hydroxy-3-methoxybenzenesulfonic acid Traditional Name: 5-[bis[(2,5-diketo-3-pyrroline-1-carbonyl)amino]methyl]-2-hydroxy-3-methoxy-besylic acid Formula: C18H14N4O11S MolecularWeight: 494.38896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(NC(=O)N2C(=O)C=CC2=O)NC(=O)N3C(=O)C=CC3=O)S(=O)(=O)O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C(NC(=O)N2C(=O)C=CC2=O)NC(=O)N3C(=O)C=CC3=O)S(=O)(=O)O)O

InChI

InChI=1S/C18H14N4O11S/c1-33-9-6-8(7-10(15(9)27)34(30,31)32)16(19-17(28)21-11(23)2-3-12(21)24)20-18(29)22-13(25)4-5-14(22)26/h2-7,16,27H,1H3,(H,19,28)(H,20,29)(H,30,31,32)