octyl 5-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]thiophene-2-carboxylate

Systemtic Name: octyl 5-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]thiophene-2-carboxylate Openeye Name: octyl 5-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]thiophene-2-carboxylate CAS Name: 5-[(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-1-ynyl]-2-thiophenecarboxylic acid octyl ester IUPAC Name: octyl 5-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]thiophene-2-carboxylate Traditional Name: 5-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]thiophene-2-carboxylic acid octyl ester Formula: C26H36O2S MolecularWeight: 412.62784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(S1)C#CC=CC2=C(CCCC2(C)C)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(S1)C#C/C=C/C2=C(CCCC2(C)C)C

InChI

InChI=1S/C26H36O2S/c1-5-6-7-8-9-12-20-28-25(27)24-18-17-22(29-24)15-10-11-16-23-21(2)14-13-19-26(23,3)4/h11,16-18H,5-9,12-14,19-20H2,1-4H3/b16-11+