2-heptan-3-yl-4-(4-hydroxyphenyl)-4-methyl-cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: 2-heptan-3-yl-4-(4-hydroxyphenyl)-4-methyl-cyclohexa-1,5-diene-1-carboxylate Openeye Name: 2-(1-ethylpentyl)-4-(4-hydroxyphenyl)-4-methyl-cyclohexa-1,5-diene-1-carboxylate CAS Name: 2-heptan-3-yl-4-(4-hydroxyphenyl)-4-methyl-1-cyclohexa-1,5-dienecarboxylate IUPAC Name: 2-heptan-3-yl-4-(4-hydroxyphenyl)-4-methylcyclohexa-1,5-diene-1-carboxylate Traditional Name: 2-(1-ethylpentyl)-4-(4-hydroxyphenyl)-4-methyl-cyclohexa-1,5-diene-1-carboxylate Formula: C21H27O3- MolecularWeight: 327.43728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28O3/c1-4-6-7-15(5-2)19-14-21(3,13-12-18(19)20(23)24)16-8-10-17(22)11-9-16/h8-13,15,22H,4-7,14H2,1-3H3,(H,23,24)/p-1