(1R,3aR,7aS)-6,6-diethoxy-1-(phenylsulfanylmethyl)-1,2,3,3a,4,5,7,7a-octahydroindene

Systemtic Name: (1R,3aR,7aS)-6,6-diethoxy-1-(phenylsulfanylmethyl)-1,2,3,3a,4,5,7,7a-octahydroindene Openeye Name: (1R,3aR,7aS)-6,6-diethoxy-1-(phenylsulfanylmethyl)-1,2,3,3a,4,5,7,7a-octahydroindene CAS Name: (1R,3aR,7aS)-6,6-diethoxy-1-[(phenylthio)methyl]-1,2,3,3a,4,5,7,7a-octahydroindene IUPAC Name: (1R,3aR,7aS)-6,6-diethoxy-1-(phenylsulfanylmethyl)-1,2,3,3a,4,5,7,7a-octahydroindene Traditional Name: (1R,3aR,7aS)-6,6-diethoxy-1-[(phenylthio)methyl]-1,2,3,3a,4,5,7,7a-octahydroindene Formula: C20H30O2S MolecularWeight: 334.516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(CCC2CCC(C2C1)CSC3=CC=CC=C3)OCC

Isomeric SMILES

CCOC1(CC[C@H]2CC[C@H]([C@H]2C1)CSC3=CC=CC=C3)OCC

InChI

InChI=1S/C20H30O2S/c1-3-21-20(22-4-2)13-12-16-10-11-17(19(16)14-20)15-23-18-8-6-5-7-9-18/h5-9,16-17,19H,3-4,10-15H2,1-2H3/t16-,17+,19+/m1/s1