1-heptoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 1-heptoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 1-heptoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 1-heptoxy-4-phenyl-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 1-heptoxy-4-phenylcyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 1-heptoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid Formula: C20H26O3 MolecularWeight: 314.41864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H26O3/c1-2-3-4-5-9-16-23-20(19(21)22)14-12-18(13-15-20)17-10-7-6-8-11-17/h6-8,10-15,18H,2-5,9,16H2,1H3,(H,21,22)