(5S)-5-methyl-3-[13-(oxan-2-yloxy)tridecyl]-3-phenylsulfanyl-oxolan-2-one

Systemtic Name: (5S)-5-methyl-3-[13-(oxan-2-yloxy)tridecyl]-3-phenylsulfanyl-oxolan-2-one Openeye Name: (5S)-5-methyl-3-phenylsulfanyl-3-(13-tetrahydropyran-2-yloxytridecyl)tetrahydrofuran-2-one CAS Name: (5S)-5-methyl-3-[13-(2-oxanyloxy)tridecyl]-3-(phenylthio)-2-oxolanone IUPAC Name: (5S)-5-methyl-3-[13-(oxan-2-yloxy)tridecyl]-3-phenylsulfanyloxolan-2-one Traditional Name: (5S)-5-methyl-3-(phenylthio)-3-(13-tetrahydropyran-2-yloxytridecyl)tetrahydrofuran-2-one Formula: C29H46O4S MolecularWeight: 490.73814

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)O1)(CCCCCCCCCCCCCOC2CCCCO2)SC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CC(C(=O)O1)(CCCCCCCCCCCCCOC2CCCCO2)SC3=CC=CC=C3

InChI

InChI=1S/C29H46O4S/c1-25-24-29(28(30)33-25,34-26-18-12-11-13-19-26)21-15-9-7-5-3-2-4-6-8-10-16-22-31-27-20-14-17-23-32-27/h11-13,18-19,25,27H,2-10,14-17,20-24H2,1H3/t25-,27?,29?/m0/s1