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

Systemtic Name: 2-ethyl-4-[(E)-2-(8-ethylsulfanyl-5,5-dimethyl-6H-naphthalen-2-yl)ethenyl]benzoic acid Openeye Name: 2-ethyl-4-[(E)-2-(8-ethylsulfanyl-5,5-dimethyl-6H-naphthalen-2-yl)vinyl]benzoic acid CAS Name: 2-ethyl-4-[(E)-2-[8-(ethylthio)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoic acid IUPAC Name: 2-ethyl-4-[(E)-2-(8-ethylsulfanyl-5,5-dimethyl-6H-naphthalen-2-yl)ethenyl]benzoic acid Traditional Name: 2-ethyl-4-[(E)-2-[8-(ethylthio)-5,5-dimethyl-6H-naphthalen-2-yl]vinyl]benzoic acid Formula: C25H28O2S MolecularWeight: 392.55362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C=CC2=CC3=C(C=C2)C(CC=C3SCC)(C)C)C(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)/C=C/C2=CC3=C(C=C2)C(CC=C3SCC)(C)C)C(=O)O

InChI

InChI=1S/C25H28O2S/c1-5-19-15-17(9-11-20(19)24(26)27)7-8-18-10-12-22-21(16-18)23(28-6-2)13-14-25(22,3)4/h7-13,15-16H,5-6,14H2,1-4H3,(H,26,27)/b8-7+