diphenyl 3-(1-formamido-3-oxidanylidene-propyl)-6-(phenylmethyl)benzene-1,2-disulfonate

Systemtic Name: diphenyl 3-(1-formamido-3-oxidanylidene-propyl)-6-(phenylmethyl)benzene-1,2-disulfonate Openeye Name: diphenyl 3-benzyl-6-(1-formamido-3-oxo-propyl)benzene-1,2-disulfonate CAS Name: 3-(1-formamido-3-oxopropyl)-6-(phenylmethyl)benzene-1,2-disulfonic acid diphenyl ester IUPAC Name: diphenyl 3-benzyl-6-(1-formamido-3-oxopropyl)benzene-1,2-disulfonate Traditional Name: 3-benzyl-6-(1-formamido-3-keto-propyl)benzene-1,2-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(=C(C=C2)C(CC=O)NC=O)S(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C(=C(C=C2)C(CC=O)NC=O)S(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

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