[5-[(Z)-2-methanoyl-3-methyl-but-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [5-[(Z)-2-methanoyl-3-methyl-but-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [5-[(Z)-2-formyl-3-methyl-but-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-[(Z)-2-formyl-3-methylbut-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [5-[(Z)-2-formyl-3-methylbut-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-[(Z)-2-formyl-3-methyl-but-1-enyl]-2-methoxy-phenyl] ester Formula: C20H22O5S MolecularWeight: 374.45068

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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(C=O)C(C)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)/C=C(\C=O)/C(C)C)OC

InChI

InChI=1S/C20H22O5S/c1-14(2)17(13-21)11-16-7-10-19(24-4)20(12-16)25-26(22,23)18-8-5-15(3)6-9-18/h5-14H,1-4H3/b17-11+