3,5-dimethyl-5-[[4-[4-(phenylmethoxymethyl)phenyl]phenyl]methyl]thiolane-2,4-dione

Systemtic Name: 3,5-dimethyl-5-[[4-[4-(phenylmethoxymethyl)phenyl]phenyl]methyl]thiolane-2,4-dione Openeye Name: 5-[[4-[4-(benzyloxymethyl)phenyl]phenyl]methyl]-3,5-dimethyl-tetrahydrothiophene-2,4-dione CAS Name: 3,5-dimethyl-5-[[4-[4-(phenylmethoxymethyl)phenyl]phenyl]methyl]thiolane-2,4-dione IUPAC Name: 3,5-dimethyl-5-[[4-[4-(phenylmethoxymethyl)phenyl]phenyl]methyl]thiolane-2,4-dione Traditional Name: 5-[4-[4-(benzoxymethyl)phenyl]benzyl]-3,5-dimethyl-tetrahydrothiophene-2,4-quinone Formula: C27H26O3S MolecularWeight: 430.55854

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C(SC1=O)(C)CC2=CC=C(C=C2)C3=CC=C(C=C3)COCC4=CC=CC=C4

Isomeric SMILES

CC1C(=O)C(SC1=O)(C)CC2=CC=C(C=C2)C3=CC=C(C=C3)COCC4=CC=CC=C4

InChI

InChI=1S/C27H26O3S/c1-19-25(28)27(2,31-26(19)29)16-20-8-12-23(13-9-20)24-14-10-22(11-15-24)18-30-17-21-6-4-3-5-7-21/h3-15,19H,16-18H2,1-2H3