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2-ethylhexyl 2-(1-tridecoxyethylsulfanyl)benzoate

2-ethylhexyl 2-(1-tridecoxyethylsulfanyl)benzoate

Systemtic Name:2-ethylhexyl 2-(1-tridecoxyethylsulfanyl)benzoate
Openeye Name:2-ethylhexyl 2-(1-tridecoxyethylsulfanyl)benzoate
CAS Name:2-(1-tridecoxyethylthio)benzoic acid 2-ethylhexyl ester
IUPAC Name:2-ethylhexyl 2-(1-tridecoxyethylsulfanyl)benzoate
Traditional Name:2-(1-tridecoxyethylthio)benzoic acid 2-ethylhexyl ester
Formula: C30H52O3S
MolecularWeight: 492.79708
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C30H52O3S/c1-5-8-10-11-12-13-14-15-16-17-20-24-32-26(4)34-29-23-19-18-22-28(29)30(31)33-25-27(7-3)21-9-6-2/h18-19,22-23,26-27H,5-17,20-21,24-25H2,1-4H3


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