(4R)-3-(2,6-diacetyloxy-4-pentyl-phenyl)-4-prop-1-en-2-yl-cyclohexene-1-carboxylic acid

Systemtic Name: (4R)-3-(2,6-diacetyloxy-4-pentyl-phenyl)-4-prop-1-en-2-yl-cyclohexene-1-carboxylic acid Openeye Name: (4R)-3-(2,6-diacetoxy-4-pentyl-phenyl)-4-isopropenyl-cyclohexene-1-carboxylic acid CAS Name: (4R)-3-(2,6-diacetyloxy-4-pentylphenyl)-4-(1-methylethenyl)-1-cyclohexenecarboxylic acid IUPAC Name: (4R)-3-(2,6-diacetyloxy-4-pentylphenyl)-4-prop-1-en-2-ylcyclohexene-1-carboxylic acid Traditional Name: (4R)-3-(2,6-diacetoxy-4-amyl-phenyl)-4-isopropenyl-cyclohexene-1-carboxylic acid Formula: C25H32O6 MolecularWeight: 428.51798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C(=C1)OC(=O)C)C2C=C(CCC2C(=C)C)C(=O)O)OC(=O)C

Isomeric SMILES

CCCCCC1=CC(=C(C(=C1)OC(=O)C)C2C=C(CC[C@H]2C(=C)C)C(=O)O)OC(=O)C

InChI

InChI=1S/C25H32O6/c1-6-7-8-9-18-12-22(30-16(4)26)24(23(13-18)31-17(5)27)21-14-19(25(28)29)10-11-20(21)15(2)3/h12-14,20-21H,2,6-11H2,1,3-5H3,(H,28,29)/t20-,21?/m0/s1