heptyl 4-(4-hexoxyphenyl)-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: heptyl 4-(4-hexoxyphenyl)-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: heptyl 4-(4-hexoxyphenyl)-4-hydroxy-cyclohexanecarboxylate CAS Name: 4-(4-hexoxyphenyl)-4-hydroxy-1-cyclohexanecarboxylic acid heptyl ester IUPAC Name: heptyl 4-(4-hexoxyphenyl)-4-hydroxycyclohexane-1-carboxylate Traditional Name: 4-(4-hexoxyphenyl)-4-hydroxy-cyclohexanecarboxylic acid heptyl ester Formula: C26H42O4 MolecularWeight: 418.60928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1CCC(CC1)(C2=CC=C(C=C2)OCCCCCC)O

Isomeric SMILES

CCCCCCCOC(=O)C1CCC(CC1)(C2=CC=C(C=C2)OCCCCCC)O

InChI

InChI=1S/C26H42O4/c1-3-5-7-9-11-21-30-25(27)22-16-18-26(28,19-17-22)23-12-14-24(15-13-23)29-20-10-8-6-4-2/h12-15,22,28H,3-11,16-21H2,1-2H3