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

Systemtic Name: 4-[(E)-2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-1-yl)ethenyl]benzoic acid Openeye Name: 4-[(E)-2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-1-yl)vinyl]benzoic acid CAS Name: 4-[(E)-2-[5,5-dimethyl-8-(phenylthio)-6H-naphthalen-1-yl]ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-1-yl)ethenyl]benzoic acid Traditional Name: 4-[(E)-2-[5,5-dimethyl-8-(phenylthio)-6H-naphthalen-1-yl]vinyl]benzoic acid Formula: C27H24O2S MolecularWeight: 412.54326

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C(C=CC=C21)C=CC3=CC=C(C=C3)C(=O)O)SC4=CC=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C27H24O2S/c1-27(2)18-17-24(30-22-8-4-3-5-9-22)25-20(7-6-10-23(25)27)14-11-19-12-15-21(16-13-19)26(28)29/h3-17H,18H2,1-2H3,(H,28,29)/b14-11+