diphenyl 4-(1-formamido-3-oxidanylidene-propyl)-2-(phenylmethyl)benzene-1,3-disulfonate

Systemtic Name: diphenyl 4-(1-formamido-3-oxidanylidene-propyl)-2-(phenylmethyl)benzene-1,3-disulfonate Openeye Name: diphenyl 2-benzyl-4-(1-formamido-3-oxo-propyl)benzene-1,3-disulfonate CAS Name: 4-(1-formamido-3-oxopropyl)-2-(phenylmethyl)benzene-1,3-disulfonic acid diphenyl ester IUPAC Name: diphenyl 2-benzyl-4-(1-formamido-3-oxopropyl)benzene-1,3-disulfonate Traditional Name: 2-benzyl-4-(1-formamido-3-keto-propyl)benzene-1,3-disulfonic acid diphenyl ester Formula: C29H25NO8S2 MolecularWeight: 579.6407

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC(=C2S(=O)(=O)OC3=CC=CC=C3)C(CC=O)NC=O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2S(=O)(=O)OC3=CC=CC=C3)C(CC=O)NC=O)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C29H25NO8S2/c31-19-18-27(30-21-32)25-16-17-28(39(33,34)37-23-12-6-2-7-13-23)26(20-22-10-4-1-5-11-22)29(25)40(35,36)38-24-14-8-3-9-15-24/h1-17,19,21,27H,18,20H2,(H,30,32)