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2-ethylhexyl 2-(1-octadecoxyethylsulfanyl)benzoate

2-ethylhexyl 2-(1-octadecoxyethylsulfanyl)benzoate

Systemtic Name:2-ethylhexyl 2-(1-octadecoxyethylsulfanyl)benzoate
Openeye Name:2-ethylhexyl 2-(1-octadecoxyethylsulfanyl)benzoate
CAS Name:2-(1-octadecoxyethylthio)benzoic acid 2-ethylhexyl ester
IUPAC Name:2-ethylhexyl 2-(1-octadecoxyethylsulfanyl)benzoate
Traditional Name:2-(1-stearyloxyethylthio)benzoic acid 2-ethylhexyl ester
Formula: C35H62O3S
MolecularWeight: 562.92998
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C)SC1=CC=CC=C1C(=O)OCC(CC)CCCC


Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)SC1=CC=CC=C1C(=O)OCC(CC)CCCC


InChI

InChI=1S/C35H62O3S/c1-5-8-10-11-12-13-14-15-16-17-18-19-20-21-22-25-29-37-31(4)39-34-28-24-23-27-33(34)35(36)38-30-32(7-3)26-9-6-2/h23-24,27-28,31-32H,5-22,25-26,29-30H2,1-4H3


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