2-[[4-bis[4-[(1-oxidanyl-1-oxidanylidene-3-sulfo-propan-2-yl)carbamoyl]phenyl]phosphanylphenyl]carbonylamino]-3-sulfo-propanoic acid

Systemtic Name: 2-[[4-bis[4-[(1-oxidanyl-1-oxidanylidene-3-sulfo-propan-2-yl)carbamoyl]phenyl]phosphanylphenyl]carbonylamino]-3-sulfo-propanoic acid Openeye Name: 2-[[4-bis[4-[[2-hydroxy-2-oxo-1-(sulfomethyl)ethyl]carbamoyl]phenyl]phosphanylbenzoyl]amino]-3-sulfo-propanoic acid CAS Name: 2-[[[4-bis[4-[[(1-hydroxy-1-oxo-3-sulfopropan-2-yl)amino]-oxomethyl]phenyl]phosphinophenyl]-oxomethyl]amino]-3-sulfopropanoic acid IUPAC Name: 2-[[4-bis[4-[(1-hydroxy-1-oxo-3-sulfopropan-2-yl)carbamoyl]phenyl]phosphanylbenzoyl]amino]-3-sulfopropanoic acid Traditional Name: 2-[[4-bis[4-[[2-hydroxy-2-keto-1-(sulfomethyl)ethyl]carbamoyl]phenyl]phosphinobenzoyl]amino]-3-sulfo-propionic acid Formula: C30H30N3O18PS3 MolecularWeight: 847.737261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CS(=O)(=O)O)C(=O)O)P(C2=CC=C(C=C2)C(=O)NC(CS(=O)(=O)O)C(=O)O)C3=CC=C(C=C3)C(=O)NC(CS(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CS(=O)(=O)O)C(=O)O)P(C2=CC=C(C=C2)C(=O)NC(CS(=O)(=O)O)C(=O)O)C3=CC=C(C=C3)C(=O)NC(CS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C30H30N3O18PS3/c34-25(31-22(28(37)38)13-53(43,44)45)16-1-7-19(8-2-16)52(20-9-3-17(4-10-20)26(35)32-23(29(39)40)14-54(46,47)48)21-11-5-18(6-12-21)27(36)33-24(30(41)42)15-55(49,50)51/h1-12,22-24H,13-15H2,(H,31,34)(H,32,35)(H,33,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)