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

Systemtic Name: 4-[(E)-2-(5,5-dimethyl-8-propan-2-ylsulfanyl-6H-naphthalen-2-yl)ethenyl]benzoic acid Openeye Name: 4-[(E)-2-(8-isopropylsulfanyl-5,5-dimethyl-6H-naphthalen-2-yl)vinyl]benzoic acid CAS Name: 4-[(E)-2-[5,5-dimethyl-8-(propan-2-ylthio)-6H-naphthalen-2-yl]ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-(5,5-dimethyl-8-propan-2-ylsulfanyl-6H-naphthalen-2-yl)ethenyl]benzoic acid Traditional Name: 4-[(E)-2-[8-(isopropylthio)-5,5-dimethyl-6H-naphthalen-2-yl]vinyl]benzoic acid Formula: C24H26O2S MolecularWeight: 378.52704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CCC(C2=C1C=C(C=C2)C=CC3=CC=C(C=C3)C(=O)O)(C)C

Isomeric SMILES

CC(C)SC1=CCC(C2=C1C=C(C=C2)/C=C/C3=CC=C(C=C3)C(=O)O)(C)C

InChI

InChI=1S/C24H26O2S/c1-16(2)27-22-13-14-24(3,4)21-12-9-18(15-20(21)22)6-5-17-7-10-19(11-8-17)23(25)26/h5-13,15-16H,14H2,1-4H3,(H,25,26)/b6-5+