[2-methyl-3-(4-methylsulfanylphenyl)-2-oxidanyl-3-oxidanylidene-propyl] naphthalene-2-sulfonate

Systemtic Name: [2-methyl-3-(4-methylsulfanylphenyl)-2-oxidanyl-3-oxidanylidene-propyl] naphthalene-2-sulfonate Openeye Name: [2-hydroxy-2-methyl-3-(4-methylsulfanylphenyl)-3-oxo-propyl] naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid [2-hydroxy-2-methyl-3-[4-(methylthio)phenyl]-3-oxopropyl] ester IUPAC Name: [2-hydroxy-2-methyl-3-(4-methylsulfanylphenyl)-3-oxopropyl] naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid [2-hydroxy-3-keto-2-methyl-3-[4-(methylthio)phenyl]propyl] ester Formula: C21H20O5S2 MolecularWeight: 416.5105

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Descriptors Computed from Structure

Canonical SMILES:

CC(COS(=O)(=O)C1=CC2=CC=CC=C2C=C1)(C(=O)C3=CC=C(C=C3)SC)O

Isomeric SMILES

CC(COS(=O)(=O)C1=CC2=CC=CC=C2C=C1)(C(=O)C3=CC=C(C=C3)SC)O

InChI

InChI=1S/C21H20O5S2/c1-21(23,20(22)16-7-10-18(27-2)11-8-16)14-26-28(24,25)19-12-9-15-5-3-4-6-17(15)13-19/h3-13,23H,14H2,1-2H3