2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-1-yl)ethanoyl benzoate

Systemtic Name: 2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-1-yl)ethanoyl benzoate Openeye Name: [2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-1-yl)acetyl] benzoate CAS Name: benzoic acid [2-[5,5-dimethyl-8-(phenylthio)-6H-naphthalen-1-yl]-1-oxoethyl] ester IUPAC Name: [2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-1-yl)acetyl] benzoate Traditional Name: benzoic acid [2-[5,5-dimethyl-8-(phenylthio)-6H-naphthalen-1-yl]acetyl] ester Formula: C27H24O3S MolecularWeight: 428.54266

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC=C2CC(=O)OC(=O)C3=CC=CC=C3)SC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC=C2CC(=O)OC(=O)C3=CC=CC=C3)SC4=CC=CC=C4)C

InChI

InChI=1S/C27H24O3S/c1-27(2)17-16-23(31-21-13-7-4-8-14-21)25-20(12-9-15-22(25)27)18-24(28)30-26(29)19-10-5-3-6-11-19/h3-16H,17-18H2,1-2H3