2-[(5-hexyl-3-oxidanyl-3-propan-2-yl-cyclohexa-1,4-dien-1-yl)methyl]octadecanoate

Systemtic Name: 2-[(5-hexyl-3-oxidanyl-3-propan-2-yl-cyclohexa-1,4-dien-1-yl)methyl]octadecanoate Openeye Name: 2-[(5-hexyl-3-hydroxy-3-isopropyl-cyclohexa-1,4-dien-1-yl)methyl]octadecanoate CAS Name: 2-[(5-hexyl-3-hydroxy-3-propan-2-yl-1-cyclohexa-1,4-dienyl)methyl]octadecanoate IUPAC Name: 2-[(5-hexyl-3-hydroxy-3-propan-2-ylcyclohexa-1,4-dien-1-yl)methyl]octadecanoate Traditional Name: 2-[(5-hexyl-3-hydroxy-3-isopropyl-cyclohexa-1,4-dien-1-yl)methyl]stearate Formula: C34H61O3- MolecularWeight: 517.84634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CC1=CC(C=C(C1)CCCCCC)(C(C)C)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CC1=CC(C=C(C1)CCCCCC)(C(C)C)O)C(=O)[O-]

InChI

InChI=1S/C34H62O3/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-32(33(35)36)26-31-25-30(23-21-10-8-6-2)27-34(37,28-31)29(3)4/h27-29,32,37H,5-26H2,1-4H3,(H,35,36)/p-1