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

Systemtic Name: 5-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]thiophene-2-carboxylic acid Openeye Name: 5-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]thiophene-2-carboxylic acid CAS Name: 5-[(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-1-ynyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]thiophene-2-carboxylic acid Traditional Name: 5-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]-2-thenoic acid Formula: C18H20O2S MolecularWeight: 300.4152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC#CC2=CC=C(S2)C(=O)O

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C#CC2=CC=C(S2)C(=O)O

InChI

InChI=1S/C18H20O2S/c1-13-7-6-12-18(2,3)15(13)9-5-4-8-14-10-11-16(21-14)17(19)20/h5,9-11H,6-7,12H2,1-3H3,(H,19,20)/b9-5+