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

Systemtic Name: 4-[(E)-4-(2-methyl-6-oxidanyl-cyclohexen-1-yl)but-3-en-1-ynyl]benzoate Openeye Name: 4-[(E)-4-(6-hydroxy-2-methyl-cyclohexen-1-yl)but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-(6-hydroxy-2-methyl-1-cyclohexenyl)but-3-en-1-ynyl]benzoate IUPAC Name: 4-[(E)-4-(6-hydroxy-2-methylcyclohexen-1-yl)but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-(6-hydroxy-2-methyl-cyclohexen-1-yl)but-3-en-1-ynyl]benzoate Formula: C18H17O3- MolecularWeight: 281.32578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O3/c1-13-5-4-8-17(19)16(13)7-3-2-6-14-9-11-15(12-10-14)18(20)21/h3,7,9-12,17,19H,4-5,8H2,1H3,(H,20,21)/p-1/b7-3+