3-methyl-5,5-bis(phenylsulfanylmethyl)-1,4,6,6a-tetrahydropentalen-2-one

Systemtic Name: 3-methyl-5,5-bis(phenylsulfanylmethyl)-1,4,6,6a-tetrahydropentalen-2-one Openeye Name: 3-methyl-5,5-bis(phenylsulfanylmethyl)-1,4,6,6a-tetrahydropentalen-2-one CAS Name: 3-methyl-5,5-bis[(phenylthio)methyl]-1,4,6,6a-tetrahydropentalen-2-one IUPAC Name: 3-methyl-5,5-bis(phenylsulfanylmethyl)-1,4,6,6a-tetrahydropentalen-2-one Traditional Name: 3-methyl-5,5-bis[(phenylthio)methyl]-1,4,6,6a-tetrahydropentalen-2-one Formula: C23H24OS2 MolecularWeight: 380.56606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CC(CC2CC1=O)(CSC3=CC=CC=C3)CSC4=CC=CC=C4

Isomeric SMILES

CC1=C2CC(CC2CC1=O)(CSC3=CC=CC=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C23H24OS2/c1-17-21-14-23(13-18(21)12-22(17)24,15-25-19-8-4-2-5-9-19)16-26-20-10-6-3-7-11-20/h2-11,18H,12-16H2,1H3