3-[[[2-methoxy-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylamino]methyl]benzoic acid

Systemtic Name: 3-[[[2-methoxy-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylamino]methyl]benzoic acid Openeye Name: 3-[[[5-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-2-methoxy-phenyl]sulfonylamino]methyl]benzoic acid CAS Name: 3-[[[5-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2-methoxyphenyl]sulfonylamino]methyl]benzoic acid IUPAC Name: 3-[[[5-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2-methoxyphenyl]sulfonylamino]methyl]benzoic acid Traditional Name: 3-[[[5-[(E)-3-hydroxy-3-keto-prop-1-enyl]-2-methoxy-phenyl]sulfonylamino]methyl]benzoic acid Formula: C18H17NO7S MolecularWeight: 391.39508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)O)S(=O)(=O)NCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)NCC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C18H17NO7S/c1-26-15-7-5-12(6-8-17(20)21)10-16(15)27(24,25)19-11-13-3-2-4-14(9-13)18(22)23/h2-10,19H,11H2,1H3,(H,20,21)(H,22,23)/b8-6+