sodium phenyl 3-(3-methoxy-5-methyl-2-oxidanyl-phenyl)-3-oxidanylidene-propane-1-sulfonate

Systemtic Name: sodium phenyl 3-(3-methoxy-5-methyl-2-oxidanyl-phenyl)-3-oxidanylidene-propane-1-sulfonate Openeye Name: sodium phenyl 3-(2-hydroxy-3-methoxy-5-methyl-phenyl)-3-oxo-propane-1-sulfonate CAS Name: sodium 3-(2-hydroxy-3-methoxy-5-methylphenyl)-3-oxo-1-propanesulfonic acid IUPAC Name: sodium phenyl 3-(2-hydroxy-3-methoxy-5-methylphenyl)-3-oxopropane-1-sulfonate Traditional Name: sodium 3-(2-hydroxy-3-methoxy-5-methyl-phenyl)-3-keto-propane-1-sulfonic acid phenyl ester Formula: C17H18NaO6S+ MolecularWeight: 373.37599

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)CCS(=O)(=O)OC2=CC=CC=C2)O)OC.[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)CCS(=O)(=O)OC2=CC=CC=C2)O)OC.[Na+]

InChI

InChI=1S/C17H18O6S.Na/c1-12-10-14(17(19)16(11-12)22-2)15(18)8-9-24(20,21)23-13-6-4-3-5-7-13;/h3-7,10-11,19H,8-9H2,1-2H3;/q;+1