[(E)-2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-2-yl)ethenyl] benzoate

Systemtic Name: [(E)-2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-2-yl)ethenyl] benzoate Openeye Name: [(E)-2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-2-yl)vinyl] benzoate CAS Name: benzoic acid [(E)-2-[5,5-dimethyl-8-(phenylthio)-6H-naphthalen-2-yl]ethenyl] ester IUPAC Name: [(E)-2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-2-yl)ethenyl] benzoate Traditional Name: benzoic acid [(E)-2-[5,5-dimethyl-8-(phenylthio)-6H-naphthalen-2-yl]vinyl] ester Formula: C27H24O2S MolecularWeight: 412.54326

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)C=COC(=O)C3=CC=CC=C3)SC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)/C=C/OC(=O)C3=CC=CC=C3)SC4=CC=CC=C4)C

InChI

InChI=1S/C27H24O2S/c1-27(2)17-15-25(30-22-11-7-4-8-12-22)23-19-20(13-14-24(23)27)16-18-29-26(28)21-9-5-3-6-10-21/h3-16,18-19H,17H2,1-2H3/b18-16+