methyl 4-(4-heptoxyphenyl)-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: methyl 4-(4-heptoxyphenyl)-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: methyl 4-(4-heptoxyphenyl)-4-hydroxy-cyclohexanecarboxylate CAS Name: 4-(4-heptoxyphenyl)-4-hydroxy-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-heptoxyphenyl)-4-hydroxycyclohexane-1-carboxylate Traditional Name: 4-(4-heptoxyphenyl)-4-hydroxy-cyclohexanecarboxylic acid methyl ester Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2(CCC(CC2)C(=O)OC)O

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2(CCC(CC2)C(=O)OC)O

InChI

InChI=1S/C21H32O4/c1-3-4-5-6-7-16-25-19-10-8-18(9-11-19)21(23)14-12-17(13-15-21)20(22)24-2/h8-11,17,23H,3-7,12-16H2,1-2H3