5-[(Z)-4-(4-chloranyl-2-methyl-phenyl)-4-(3-methylthiophen-2-yl)but-3-enyl]cyclohexene-1-carboxylic acid

Systemtic Name: 5-[(Z)-4-(4-chloranyl-2-methyl-phenyl)-4-(3-methylthiophen-2-yl)but-3-enyl]cyclohexene-1-carboxylic acid Openeye Name: 5-[(Z)-4-(4-chloro-2-methyl-phenyl)-4-(3-methyl-2-thienyl)but-3-enyl]cyclohexene-1-carboxylic acid CAS Name: 5-[(Z)-4-(4-chloro-2-methylphenyl)-4-(3-methyl-2-thiophenyl)but-3-enyl]-1-cyclohexenecarboxylic acid IUPAC Name: 5-[(Z)-4-(4-chloro-2-methylphenyl)-4-(3-methylthiophen-2-yl)but-3-enyl]cyclohexene-1-carboxylic acid Traditional Name: 5-[(Z)-4-(4-chloro-2-methyl-phenyl)-4-(3-methyl-2-thienyl)but-3-enyl]cyclohexene-1-carboxylic acid Formula: C23H25ClO2S MolecularWeight: 400.9614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=CCCC2CCC=C(C2)C(=O)O)C3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(SC=C1)/C(=C\CCC2CCC=C(C2)C(=O)O)/C3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C23H25ClO2S/c1-15-11-12-27-22(15)21(20-10-9-19(24)13-16(20)2)8-4-6-17-5-3-7-18(14-17)23(25)26/h7-13,17H,3-6,14H2,1-2H3,(H,25,26)/b21-8-