1-[13-(oxan-2-yl)tridecylsulfanyl]ethyl 2-butylbenzoate

Systemtic Name: 1-[13-(oxan-2-yl)tridecylsulfanyl]ethyl 2-butylbenzoate Openeye Name: 1-(13-tetrahydropyran-2-yltridecylsulfanyl)ethyl 2-butylbenzoate CAS Name: 2-butylbenzoic acid 1-[13-(2-oxanyl)tridecylthio]ethyl ester IUPAC Name: 1-[13-(oxan-2-yl)tridecylsulfanyl]ethyl 2-butylbenzoate Traditional Name: 2-butylbenzoic acid 1-(13-tetrahydropyran-2-yltridecylthio)ethyl ester Formula: C31H52O3S MolecularWeight: 504.80778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1C(=O)OC(C)SCCCCCCCCCCCCCC2CCCCO2

Isomeric SMILES

CCCCC1=CC=CC=C1C(=O)OC(C)SCCCCCCCCCCCCCC2CCCCO2

InChI

InChI=1S/C31H52O3S/c1-3-4-20-28-21-15-16-24-30(28)31(32)34-27(2)35-26-19-13-11-9-7-5-6-8-10-12-14-22-29-23-17-18-25-33-29/h15-16,21,24,27,29H,3-14,17-20,22-23,25-26H2,1-2H3