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

Systemtic Name: diphenyl 4-(1-formamido-3-oxidanylidene-propyl)-2-methylsulfanyl-benzene-1,3-disulfonate Openeye Name: diphenyl 4-(1-formamido-3-oxo-propyl)-2-methylsulfanyl-benzene-1,3-disulfonate CAS Name: 4-(1-formamido-3-oxopropyl)-2-(methylthio)benzene-1,3-disulfonic acid diphenyl ester IUPAC Name: diphenyl 4-(1-formamido-3-oxopropyl)-2-methylsulfanylbenzene-1,3-disulfonate Traditional Name: 4-(1-formamido-3-keto-propyl)-2-(methylthio)benzene-1,3-disulfonic acid diphenyl ester Formula: C23H21NO8S3 MolecularWeight: 535.60974

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1S(=O)(=O)OC2=CC=CC=C2)C(CC=O)NC=O)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CSC1=C(C=CC(=C1S(=O)(=O)OC2=CC=CC=C2)C(CC=O)NC=O)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C23H21NO8S3/c1-33-22-21(34(27,28)31-17-8-4-2-5-9-17)13-12-19(20(14-15-25)24-16-26)23(22)35(29,30)32-18-10-6-3-7-11-18/h2-13,15-16,20H,14H2,1H3,(H,24,26)