(4R,5aR)-9-butyl-5a-methyl-4-oxidanyl-4,5,6,7-tetrahydrobenzo[e][1]benzothiol-8-one

Systemtic Name: (4R,5aR)-9-butyl-5a-methyl-4-oxidanyl-4,5,6,7-tetrahydrobenzo[e][1]benzothiol-8-one Openeye Name: (4R,5aR)-9-butyl-4-hydroxy-5a-methyl-4,5,6,7-tetrahydrobenzo[e]benzothiophen-8-one CAS Name: (4R,5aR)-9-butyl-4-hydroxy-5a-methyl-4,5,6,7-tetrahydrobenzo[e][1]benzothiol-8-one IUPAC Name: (4R,5aR)-9-butyl-4-hydroxy-5a-methyl-4,5,6,7-tetrahydrobenzo[e][1]benzothiol-8-one Traditional Name: (4R,5aR)-9-butyl-4-hydroxy-5a-methyl-4,5,6,7-tetrahydrobenzo[e]benzothiophen-8-one Formula: C17H22O2S MolecularWeight: 290.42038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C3=C(C(CC2(CCC1=O)C)O)SC=C3

Isomeric SMILES

CCCCC1=C2C3=C([C@@H](C[C@]2(CCC1=O)C)O)SC=C3

InChI

InChI=1S/C17H22O2S/c1-3-4-5-11-13(18)6-8-17(2)10-14(19)16-12(15(11)17)7-9-20-16/h7,9,14,19H,3-6,8,10H2,1-2H3/t14-,17-/m1/s1