ethyl 4-[(E)-2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-1-yl)ethenyl]benzoate

Systemtic Name: ethyl 4-[(E)-2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-1-yl)ethenyl]benzoate Openeye Name: ethyl 4-[(E)-2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-1-yl)vinyl]benzoate CAS Name: 4-[(E)-2-[5,5-dimethyl-8-(phenylthio)-6H-naphthalen-1-yl]ethenyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-1-yl)ethenyl]benzoate Traditional Name: 4-[(E)-2-[5,5-dimethyl-8-(phenylthio)-6H-naphthalen-1-yl]vinyl]benzoic acid ethyl ester Formula: C29H28O2S MolecularWeight: 440.59642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C=CC2=C3C(=CCC(C3=CC=C2)(C)C)SC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)/C=C/C2=C3C(=CCC(C3=CC=C2)(C)C)SC4=CC=CC=C4

InChI

InChI=1S/C29H28O2S/c1-4-31-28(30)23-17-14-21(15-18-23)13-16-22-9-8-12-25-27(22)26(19-20-29(25,2)3)32-24-10-6-5-7-11-24/h5-19H,4,20H2,1-3H3/b16-13+