4-[1-(3,5,5-trimethyl-8-propan-2-ylsulfanyl-6H-naphthalen-2-yl)ethenyl]benzoic acid

Systemtic Name: 4-[1-(3,5,5-trimethyl-8-propan-2-ylsulfanyl-6H-naphthalen-2-yl)ethenyl]benzoic acid Openeye Name: 4-[1-(8-isopropylsulfanyl-3,5,5-trimethyl-6H-naphthalen-2-yl)vinyl]benzoic acid CAS Name: 4-[1-[3,5,5-trimethyl-8-(propan-2-ylthio)-6H-naphthalen-2-yl]ethenyl]benzoic acid IUPAC Name: 4-[1-(3,5,5-trimethyl-8-propan-2-ylsulfanyl-6H-naphthalen-2-yl)ethenyl]benzoic acid Traditional Name: 4-[1-[8-(isopropylthio)-3,5,5-trimethyl-6H-naphthalen-2-yl]vinyl]benzoic acid Formula: C25H28O2S MolecularWeight: 392.55362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CCC(C2=C1)(C)C)SC(C)C)C(=C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C2C(=CCC(C2=C1)(C)C)SC(C)C)C(=C)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H28O2S/c1-15(2)28-23-11-12-25(5,6)22-13-16(3)20(14-21(22)23)17(4)18-7-9-19(10-8-18)24(26)27/h7-11,13-15H,4,12H2,1-3,5-6H3,(H,26,27)