heptyl 4-[4-(4-heptoxyphenyl)phenyl]-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: heptyl 4-[4-(4-heptoxyphenyl)phenyl]-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: heptyl 4-[4-(4-heptoxyphenyl)phenyl]-4-hydroxy-cyclohexanecarboxylate CAS Name: 4-[4-(4-heptoxyphenyl)phenyl]-4-hydroxy-1-cyclohexanecarboxylic acid heptyl ester IUPAC Name: heptyl 4-[4-(4-heptoxyphenyl)phenyl]-4-hydroxycyclohexane-1-carboxylate Traditional Name: 4-[4-(4-heptoxyphenyl)phenyl]-4-hydroxy-cyclohexanecarboxylic acid heptyl ester Formula: C33H48O4 MolecularWeight: 508.73182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3(CCC(CC3)C(=O)OCCCCCCC)O

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3(CCC(CC3)C(=O)OCCCCCCC)O

InChI

InChI=1S/C33H48O4/c1-3-5-7-9-11-25-36-31-19-15-28(16-20-31)27-13-17-30(18-14-27)33(35)23-21-29(22-24-33)32(34)37-26-12-10-8-6-4-2/h13-20,29,35H,3-12,21-26H2,1-2H3