(3S,3aS,6aS)-3a,6a-dimethyl-3-phenylsulfanyl-3-prop-2-enyl-1,4,5,6-tetrahydropentalen-2-one

Systemtic Name: (3S,3aS,6aS)-3a,6a-dimethyl-3-phenylsulfanyl-3-prop-2-enyl-1,4,5,6-tetrahydropentalen-2-one Openeye Name: (3S,3aS,6aS)-3-allyl-3a,6a-dimethyl-3-phenylsulfanyl-1,4,5,6-tetrahydropentalen-2-one CAS Name: (3S,3aS,6aS)-3a,6a-dimethyl-3-(phenylthio)-3-prop-2-enyl-1,4,5,6-tetrahydropentalen-2-one IUPAC Name: (3S,3aS,6aS)-3a,6a-dimethyl-3-phenylsulfanyl-3-prop-2-enyl-1,4,5,6-tetrahydropentalen-2-one Traditional Name: (3S,3aS,6aS)-3-allyl-3a,6a-dimethyl-3-(phenylthio)-1,4,5,6-tetrahydropentalen-2-one Formula: C19H24OS MolecularWeight: 300.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC1(C(C(=O)C2)(CC=C)SC3=CC=CC=C3)C

Isomeric SMILES

C[C@@]12CCC[C@@]1([C@](C(=O)C2)(CC=C)SC3=CC=CC=C3)C

InChI

InChI=1S/C19H24OS/c1-4-11-19(21-15-9-6-5-7-10-15)16(20)14-17(2)12-8-13-18(17,19)3/h4-7,9-10H,1,8,11-14H2,2-3H3/t17-,18-,19+/m0/s1