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

Systemtic Name: 4-[(E)-4-(6-acetyloxy-2-methyl-cyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid Openeye Name: 4-[(E)-4-(6-acetoxy-2-methyl-cyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid CAS Name: 4-[(E)-4-(6-acetyloxy-2-methyl-1-cyclohexenyl)but-3-en-1-ynyl]benzoic acid IUPAC Name: 4-[(E)-4-(6-acetyloxy-2-methylcyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid Traditional Name: 4-[(E)-4-(6-acetoxy-2-methyl-cyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid Formula: C20H20O4 MolecularWeight: 324.3704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20O4/c1-14-6-5-9-19(24-15(2)21)18(14)8-4-3-7-16-10-12-17(13-11-16)20(22)23/h4,8,10-13,19H,5-6,9H2,1-2H3,(H,22,23)/b8-4+