octyl 4-[[(3S,6S)-6-hexyl-2-oxidanylidene-oxan-3-yl]oxymethyl]benzoate

Systemtic Name: octyl 4-[[(3S,6S)-6-hexyl-2-oxidanylidene-oxan-3-yl]oxymethyl]benzoate Openeye Name: octyl 4-[[(3S,6S)-6-hexyl-2-oxo-tetrahydropyran-3-yl]oxymethyl]benzoate CAS Name: 4-[[(3S,6S)-6-hexyl-2-oxo-3-oxanyl]oxymethyl]benzoic acid octyl ester IUPAC Name: octyl 4-[[(3S,6S)-6-hexyl-2-oxooxan-3-yl]oxymethyl]benzoate Traditional Name: 4-[[(3S,6S)-6-hexyl-2-keto-tetrahydropyran-3-yl]oxymethyl]benzoic acid octyl ester Formula: C27H42O5 MolecularWeight: 446.61938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)COC2CCC(OC2=O)CCCCCC

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)CO[C@H]2CC[C@@H](OC2=O)CCCCCC

InChI

InChI=1S/C27H42O5/c1-3-5-7-9-10-12-20-30-26(28)23-16-14-22(15-17-23)21-31-25-19-18-24(32-27(25)29)13-11-8-6-4-2/h14-17,24-25H,3-13,18-21H2,1-2H3/t24-,25-/m0/s1