4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate; 1-octoxy-4-phenyl-benzene

Systemtic Name: 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate; 1-octoxy-4-phenyl-benzene Openeye Name: 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate; 1-octoxy-4-phenyl-benzene CAS Name: 4-(4-methylpent-3-enyl)-1-cyclohex-3-enecarboxylate; 1-octoxy-4-phenylbenzene IUPAC Name: 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate; 1-octoxy-4-phenylbenzene Traditional Name: 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate; 1-octoxy-4-phenyl-benzene Formula: C33H45O3- MolecularWeight: 489.7086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2.CC(=CCCC1=CCC(CC1)C(=O)[O-])C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2.CC(=CCCC1=CCC(CC1)C(=O)[O-])C

InChI

InChI=1S/C20H26O.C13H20O2/c1-2-3-4-5-6-10-17-21-20-15-13-19(14-16-20)18-11-8-7-9-12-18;1-10(2)4-3-5-11-6-8-12(9-7-11)13(14)15/h7-9,11-16H,2-6,10,17H2,1H3;4,6,12H,3,5,7-9H2,1-2H3,(H,14,15)/p-1