sodium phenyl 3-(4-methoxyphenyl)-3-oxidanylidene-propane-1-sulfonate

Systemtic Name: sodium phenyl 3-(4-methoxyphenyl)-3-oxidanylidene-propane-1-sulfonate Openeye Name: sodium phenyl 3-(4-methoxyphenyl)-3-oxo-propane-1-sulfonate CAS Name: sodium 3-(4-methoxyphenyl)-3-oxo-1-propanesulfonic acid IUPAC Name: sodium phenyl 3-(4-methoxyphenyl)-3-oxopropane-1-sulfonate Traditional Name: sodium 3-keto-3-(4-methoxyphenyl)propane-1-sulfonic acid phenyl ester Formula: C16H16NaO5S+ MolecularWeight: 343.35001

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CCS(=O)(=O)OC2=CC=CC=C2.[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CCS(=O)(=O)OC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C16H16O5S.Na/c1-20-14-9-7-13(8-10-14)16(17)11-12-22(18,19)21-15-5-3-2-4-6-15;/h2-10H,11-12H2,1H3;/q;+1