[(E)-4,4-dimethyl-5-oxidanyl-pent-2-enyl] benzenesulfinate

Systemtic Name: [(E)-4,4-dimethyl-5-oxidanyl-pent-2-enyl] benzenesulfinate Openeye Name: [(E)-5-hydroxy-4,4-dimethyl-pent-2-enyl] benzenesulfinate CAS Name: benzenesulfinic acid [(E)-5-hydroxy-4,4-dimethylpent-2-enyl] ester IUPAC Name: [(E)-5-hydroxy-4,4-dimethylpent-2-enyl] benzenesulfinate Traditional Name: benzenesulfinic acid [(E)-5-hydroxy-4,4-dimethyl-pent-2-enyl] ester Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C=CCOS(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)(CO)/C=C/COS(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H18O3S/c1-13(2,11-14)9-6-10-16-17(15)12-7-4-3-5-8-12/h3-9,14H,10-11H2,1-2H3/b9-6+