5-[[2,4-bis(oxidanyl)phenyl]carbonylamino]-2-[(E)-2-[4-[[2,4-bis(oxidanyl)phenyl]carbonylamino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid

Systemtic Name: 5-[[2,4-bis(oxidanyl)phenyl]carbonylamino]-2-[(E)-2-[4-[[2,4-bis(oxidanyl)phenyl]carbonylamino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid Openeye Name: 5-[(2,4-dihydroxybenzoyl)amino]-2-[(E)-2-[4-[(2,4-dihydroxybenzoyl)amino]-2-sulfo-phenyl]vinyl]benzenesulfonic acid CAS Name: 5-[[(2,4-dihydroxyphenyl)-oxomethyl]amino]-2-[(E)-2-[4-[[(2,4-dihydroxyphenyl)-oxomethyl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid IUPAC Name: 5-[(2,4-dihydroxybenzoyl)amino]-2-[(E)-2-[4-[(2,4-dihydroxybenzoyl)amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid Traditional Name: 5-[(2,4-dihydroxybenzoyl)amino]-2-[(E)-2-[4-[(2,4-dihydroxybenzoyl)amino]-2-sulfo-phenyl]vinyl]besylic acid Formula: C28H22N2O12S2 MolecularWeight: 642.61048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)C2=C(C=C(C=C2)O)O)S(=O)(=O)O)C=CC3=C(C=C(C=C3)NC(=O)C4=C(C=C(C=C4)O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)C2=C(C=C(C=C2)O)O)S(=O)(=O)O)/C=C/C3=C(C=C(C=C3)NC(=O)C4=C(C=C(C=C4)O)O)S(=O)(=O)O

InChI

InChI=1S/C28H22N2O12S2/c31-19-7-9-21(23(33)13-19)27(35)29-17-5-3-15(25(11-17)43(37,38)39)1-2-16-4-6-18(12-26(16)44(40,41)42)30-28(36)22-10-8-20(32)14-24(22)34/h1-14,31-34H,(H,29,35)(H,30,36)(H,37,38,39)(H,40,41,42)/b2-1+