octan-2-yl 4-phenylcyclohexa-1,5-diene-1-carboxylate

Systemtic Name: octan-2-yl 4-phenylcyclohexa-1,5-diene-1-carboxylate Openeye Name: 1-methylheptyl 4-phenylcyclohexa-1,5-diene-1-carboxylate CAS Name: 4-phenyl-1-cyclohexa-1,5-dienecarboxylic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-phenylcyclohexa-1,5-diene-1-carboxylate Traditional Name: 4-phenylcyclohexa-1,5-diene-1-carboxylic acid 1-methylheptyl ester Formula: C21H28O2 MolecularWeight: 312.44582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CCC(C=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=CCC(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H28O2/c1-3-4-5-7-10-17(2)23-21(22)20-15-13-19(14-16-20)18-11-8-6-9-12-18/h6,8-9,11-13,15-17,19H,3-5,7,10,14H2,1-2H3