13-(oxan-2-yl)tridecylsulfanylmethyl benzoate

Systemtic Name: 13-(oxan-2-yl)tridecylsulfanylmethyl benzoate Openeye Name: 13-tetrahydropyran-2-yltridecylsulfanylmethyl benzoate CAS Name: benzoic acid [13-(2-oxanyl)tridecylthio]methyl ester IUPAC Name: 13-(oxan-2-yl)tridecylsulfanylmethyl benzoate Traditional Name: benzoic acid (13-tetrahydropyran-2-yltridecylthio)methyl ester Formula: C26H42O3S MolecularWeight: 434.67488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CCCCCCCCCCCCCSCOC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCOC(C1)CCCCCCCCCCCCCSCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C26H42O3S/c27-26(24-17-11-10-12-18-24)29-23-30-22-16-9-7-5-3-1-2-4-6-8-13-19-25-20-14-15-21-28-25/h10-12,17-18,25H,1-9,13-16,19-23H2