4-[(E)-4-[6-(2,2-dimethylpropanoyloxy)-2-methyl-cyclohexen-1-yl]but-3-en-1-ynyl]benzoic acid

Systemtic Name: 4-[(E)-4-[6-(2,2-dimethylpropanoyloxy)-2-methyl-cyclohexen-1-yl]but-3-en-1-ynyl]benzoic acid Openeye Name: 4-[(E)-4-[6-(2,2-dimethylpropanoyloxy)-2-methyl-cyclohexen-1-yl]but-3-en-1-ynyl]benzoic acid CAS Name: 4-[(E)-4-[6-(2,2-dimethyl-1-oxopropoxy)-2-methyl-1-cyclohexenyl]but-3-en-1-ynyl]benzoic acid IUPAC Name: 4-[(E)-4-[6-(2,2-dimethylpropanoyloxy)-2-methylcyclohexen-1-yl]but-3-en-1-ynyl]benzoic acid Traditional Name: 4-[(E)-4-(2-methyl-6-pivaloyloxy-cyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid Formula: C23H26O4 MolecularWeight: 366.45014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)OC(=O)C(C)(C)C)C=CC#CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(C(CCC1)OC(=O)C(C)(C)C)/C=C/C#CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C23H26O4/c1-16-8-7-11-20(27-22(26)23(2,3)4)19(16)10-6-5-9-17-12-14-18(15-13-17)21(24)25/h6,10,12-15,20H,7-8,11H2,1-4H3,(H,24,25)/b10-6+