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

Systemtic Name: diphenyl 3-(1-formamido-3-oxidanylidene-propyl)-6-methoxy-benzene-1,2-disulfonate Openeye Name: diphenyl 3-(1-formamido-3-oxo-propyl)-6-methoxy-benzene-1,2-disulfonate CAS Name: 3-(1-formamido-3-oxopropyl)-6-methoxybenzene-1,2-disulfonic acid diphenyl ester IUPAC Name: diphenyl 3-(1-formamido-3-oxopropyl)-6-methoxybenzene-1,2-disulfonate Traditional Name: 3-(1-formamido-3-keto-propyl)-6-methoxy-benzene-1,2-disulfonic acid diphenyl ester Formula: C23H21NO9S2 MolecularWeight: 519.54414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(CC=O)NC=O)S(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=C(C=C1)C(CC=O)NC=O)S(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C23H21NO9S2/c1-31-21-13-12-19(20(14-15-25)24-16-26)22(34(27,28)32-17-8-4-2-5-9-17)23(21)35(29,30)33-18-10-6-3-7-11-18/h2-13,15-16,20H,14H2,1H3,(H,24,26)