(5R)-3-[[4-(4-heptylphenyl)phenyl]methyl]-5-hexyl-3-phenylsulfanyl-oxolan-2-one

Systemtic Name: (5R)-3-[[4-(4-heptylphenyl)phenyl]methyl]-5-hexyl-3-phenylsulfanyl-oxolan-2-one Openeye Name: (5R)-3-[[4-(4-heptylphenyl)phenyl]methyl]-5-hexyl-3-phenylsulfanyl-tetrahydrofuran-2-one CAS Name: (5R)-3-[[4-(4-heptylphenyl)phenyl]methyl]-5-hexyl-3-(phenylthio)-2-oxolanone IUPAC Name: (5R)-3-[[4-(4-heptylphenyl)phenyl]methyl]-5-hexyl-3-phenylsulfanyloxolan-2-one Traditional Name: (5R)-3-[4-(4-heptylphenyl)benzyl]-5-hexyl-3-(phenylthio)tetrahydrofuran-2-one Formula: C36H46O2S MolecularWeight: 542.81424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CC3(CC(OC3=O)CCCCCC)SC4=CC=CC=C4

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CC3(C[C@H](OC3=O)CCCCCC)SC4=CC=CC=C4

InChI

InChI=1S/C36H46O2S/c1-3-5-7-9-11-15-29-19-23-31(24-20-29)32-25-21-30(22-26-32)27-36(39-34-17-13-10-14-18-34)28-33(38-35(36)37)16-12-8-6-4-2/h10,13-14,17-26,33H,3-9,11-12,15-16,27-28H2,1-2H3/t33-,36?/m1/s1