4-[(E)-4-[2-methyl-6-(2-methylpropanoyloxy)cyclohexen-1-yl]but-3-en-1-ynyl]benzoate

Systemtic Name: 4-[(E)-4-[2-methyl-6-(2-methylpropanoyloxy)cyclohexen-1-yl]but-3-en-1-ynyl]benzoate Openeye Name: 4-[(E)-4-[2-methyl-6-(2-methylpropanoyloxy)cyclohexen-1-yl]but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-[2-methyl-6-(2-methyl-1-oxopropoxy)-1-cyclohexenyl]but-3-en-1-ynyl]benzoate IUPAC Name: 4-[(E)-4-[2-methyl-6-(2-methylpropanoyloxy)cyclohexen-1-yl]but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-(6-isobutyryloxy-2-methyl-cyclohexen-1-yl)but-3-en-1-ynyl]benzoate Formula: C22H23O4- MolecularWeight: 351.41562

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H24O4/c1-15(2)22(25)26-20-10-6-7-16(3)19(20)9-5-4-8-17-11-13-18(14-12-17)21(23)24/h5,9,11-15,20H,6-7,10H2,1-3H3,(H,23,24)/p-1/b9-5+