octyl 4-oxidanylbenzoate; (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one

Systemtic Name: octyl 4-oxidanylbenzoate; (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one Openeye Name: octyl 4-hydroxybenzoate; (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one CAS Name: 4-hydroxybenzoic acid octyl ester; (E)-4-(2,6,6-trimethyl-1-cyclohexenyl)-3-buten-2-one IUPAC Name: octyl 4-hydroxybenzoate; (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one Traditional Name: 4-hydroxybenzoic acid octyl ester; (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one Formula: C28H42O4 MolecularWeight: 442.63068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)O.CC1=C(C(CCC1)(C)C)C=CC(=O)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)O.CC1=C(C(CCC1)(C)C)/C=C/C(=O)C

InChI

InChI=1S/C15H22O3.C13H20O/c1-2-3-4-5-6-7-12-18-15(17)13-8-10-14(16)11-9-13;1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h8-11,16H,2-7,12H2,1H3;7-8H,5-6,9H2,1-4H3/b;8-7+