1-phenylethyl 4-methyl-3-oxidanyl-benzenesulfonate

Systemtic Name: 1-phenylethyl 4-methyl-3-oxidanyl-benzenesulfonate Openeye Name: 1-phenylethyl 3-hydroxy-4-methyl-benzenesulfonate CAS Name: 3-hydroxy-4-methylbenzenesulfonic acid 1-phenylethyl ester IUPAC Name: 1-phenylethyl 3-hydroxy-4-methylbenzenesulfonate Traditional Name: 3-hydroxy-4-methyl-benzenesulfonic acid 1-phenylethyl ester Formula: C15H16O4S MolecularWeight: 292.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC(C)C2=CC=CC=C2)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC(C)C2=CC=CC=C2)O

InChI

InChI=1S/C15H16O4S/c1-11-8-9-14(10-15(11)16)20(17,18)19-12(2)13-6-4-3-5-7-13/h3-10,12,16H,1-2H3