[2-(1-cyclopropylidene-2-oxidanyl-ethyl)-5-methyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(1-cyclopropylidene-2-oxidanyl-ethyl)-5-methyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-(1-cyclopropylidene-2-hydroxy-ethyl)-5-methyl-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(1-cyclopropylidene-2-hydroxyethyl)-5-methylphenyl] ester IUPAC Name: [2-(1-cyclopropylidene-2-hydroxyethyl)-5-methylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(1-cyclopropylidene-2-hydroxy-ethyl)-5-methyl-phenyl] ester Formula: C19H20O4S MolecularWeight: 344.4247

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)C)C(=C3CC3)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)C)C(=C3CC3)CO

InChI

InChI=1S/C19H20O4S/c1-13-3-8-16(9-4-13)24(21,22)23-19-11-14(2)5-10-17(19)18(12-20)15-6-7-15/h3-5,8-11,20H,6-7,12H2,1-2H3