[(6E)-10-chloranyl-10-methyl-6-methylsulfanyl-5,8,9,11-tetrahydrobenzo[9]annulen-5-yl] ethanoate

Systemtic Name: [(6E)-10-chloranyl-10-methyl-6-methylsulfanyl-5,8,9,11-tetrahydrobenzo[9]annulen-5-yl] ethanoate Openeye Name: [(6E)-10-chloro-10-methyl-6-methylsulfanyl-5,8,9,11-tetrahydrobenzo[9]annulen-5-yl] acetate CAS Name: acetic acid [(6E)-10-chloro-10-methyl-6-(methylthio)-5,8,9,11-tetrahydrobenzo[9]annulen-5-yl] ester IUPAC Name: [(6E)-10-chloro-10-methyl-6-methylsulfanyl-5,8,9,11-tetrahydrobenzo[9]annulen-5-yl] acetate Traditional Name: acetic acid [(6E)-10-chloro-10-methyl-6-(methylthio)-5,8,9,11-tetrahydrobenzocyclononen-5-yl] ester Formula: C17H21ClO2S MolecularWeight: 324.86544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(=CCCC(CC2=CC=CC=C12)(C)Cl)SC

Isomeric SMILES

CC(=O)OC1/C(=C\CCC(CC2=CC=CC=C12)(C)Cl)/SC

InChI

InChI=1S/C17H21ClO2S/c1-12(19)20-16-14-8-5-4-7-13(14)11-17(2,18)10-6-9-15(16)21-3/h4-5,7-9,16H,6,10-11H2,1-3H3/b15-9+