1-heptyl-4-phenyl-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 1-heptyl-4-phenyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: 1-heptyl-4-phenyl-cyclohexa-2,5-diene-1-carboxylate CAS Name: 1-heptyl-4-phenyl-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 1-heptyl-4-phenylcyclohexa-2,5-diene-1-carboxylate Traditional Name: 1-heptyl-4-phenyl-cyclohexa-2,5-diene-1-carboxylate Formula: C20H25O2- MolecularWeight: 297.4113

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C20H26O2/c1-2-3-4-5-9-14-20(19(21)22)15-12-18(13-16-20)17-10-7-6-8-11-17/h6-8,10-13,15-16,18H,2-5,9,14H2,1H3,(H,21,22)/p-1