phenyl 2-(2-hydroxyphenyl)-1-oxidanylidene-3-(phenoxysulfonylcarbonylamino)-3-phenyl-propane-1-sulfonate

Systemtic Name: phenyl 2-(2-hydroxyphenyl)-1-oxidanylidene-3-(phenoxysulfonylcarbonylamino)-3-phenyl-propane-1-sulfonate Openeye Name: phenyl 2-(2-hydroxyphenyl)-1-oxo-3-(phenoxysulfonylcarbonylamino)-3-phenyl-propane-1-sulfonate CAS Name: 2-(2-hydroxyphenyl)-1-oxo-3-[[oxo(phenoxysulfonyl)methyl]amino]-3-phenyl-1-propanesulfonic acid IUPAC Name: phenyl 2-(2-hydroxyphenyl)-1-oxo-3-(phenoxysulfonylcarbonylamino)-3-phenylpropane-1-sulfonate Traditional Name: 2-(2-hydroxyphenyl)-1-keto-3-(phenoxysulfonylcarbonylamino)-3-phenyl-propane-1-sulfonic acid phenyl ester Formula: C28H23NO9S2 MolecularWeight: 581.61352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C2=CC=CC=C2O)C(=O)S(=O)(=O)OC3=CC=CC=C3)NC(=O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(C2=CC=CC=C2O)C(=O)S(=O)(=O)OC3=CC=CC=C3)NC(=O)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C28H23NO9S2/c30-24-19-11-10-18-23(24)25(27(31)39(33,34)37-21-14-6-2-7-15-21)26(20-12-4-1-5-13-20)29-28(32)40(35,36)38-22-16-8-3-9-17-22/h1-19,25-26,30H,(H,29,32)