[(E)-2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-1-yl)ethenyl] benzoate

Systemtic Name: [(E)-2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-1-yl)ethenyl] benzoate Openeye Name: [(E)-2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-1-yl)vinyl] benzoate CAS Name: benzoic acid [(E)-2-[5,5-dimethyl-8-(phenylthio)-6H-naphthalen-1-yl]ethenyl] ester IUPAC Name: [(E)-2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-1-yl)ethenyl] benzoate Traditional Name: benzoic acid [(E)-2-[5,5-dimethyl-8-(phenylthio)-6H-naphthalen-1-yl]vinyl] ester Formula: C27H24O2S MolecularWeight: 412.54326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C(C=CC=C21)C=COC(=O)C3=CC=CC=C3)SC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC=C(C2=C(C=CC=C21)/C=C/OC(=O)C3=CC=CC=C3)SC4=CC=CC=C4)C

InChI

InChI=1S/C27H24O2S/c1-27(2)18-16-24(30-22-13-7-4-8-14-22)25-20(12-9-15-23(25)27)17-19-29-26(28)21-10-5-3-6-11-21/h3-17,19H,18H2,1-2H3/b19-17+