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

Systemtic Name: 4-[(E)-2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-2-yl)ethenyl]benzoate Openeye Name: 4-[(E)-2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-2-yl)vinyl]benzoate CAS Name: 4-[(E)-2-[5,5-dimethyl-8-(phenylthio)-6H-naphthalen-2-yl]ethenyl]benzoate IUPAC Name: 4-[(E)-2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-2-yl)ethenyl]benzoate Traditional Name: 4-[(E)-2-[5,5-dimethyl-8-(phenylthio)-6H-naphthalen-2-yl]vinyl]benzoate Formula: C27H23O2S- MolecularWeight: 411.53532

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)C=CC3=CC=C(C=C3)C(=O)[O-])SC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)/C=C/C3=CC=C(C=C3)C(=O)[O-])SC4=CC=CC=C4)C

InChI

InChI=1S/C27H24O2S/c1-27(2)17-16-25(30-22-6-4-3-5-7-22)23-18-20(12-15-24(23)27)9-8-19-10-13-21(14-11-19)26(28)29/h3-16,18H,17H2,1-2H3,(H,28,29)/p-1/b9-8+