sodium phenyl 3-(3-methoxy-4-oxidanyl-phenyl)-3-oxidanylidene-propane-1-sulfonate

Systemtic Name: sodium phenyl 3-(3-methoxy-4-oxidanyl-phenyl)-3-oxidanylidene-propane-1-sulfonate Openeye Name: sodium phenyl 3-(4-hydroxy-3-methoxy-phenyl)-3-oxo-propane-1-sulfonate CAS Name: sodium 3-(4-hydroxy-3-methoxyphenyl)-3-oxo-1-propanesulfonic acid IUPAC Name: sodium phenyl 3-(4-hydroxy-3-methoxyphenyl)-3-oxopropane-1-sulfonate Traditional Name: sodium 3-(4-hydroxy-3-methoxy-phenyl)-3-keto-propane-1-sulfonic acid phenyl ester Formula: C16H16NaO6S+ MolecularWeight: 359.34941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O6S.Na/c1-21-16-11-12(7-8-15(16)18)14(17)9-10-23(19,20)22-13-5-3-2-4-6-13;/h2-8,11,18H,9-10H2,1H3;/q;+1