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butyl 2-(1-octadecoxyethylsulfanyl)benzoate

Systemtic Name:	butyl 2-(1-octadecoxyethylsulfanyl)benzoate
Openeye Name:	butyl 2-(1-octadecoxyethylsulfanyl)benzoate
CAS Name:	2-(1-octadecoxyethylthio)benzoic acid butyl ester
IUPAC Name:	butyl 2-(1-octadecoxyethylsulfanyl)benzoate
Traditional Name:	2-(1-stearyloxyethylthio)benzoic acid butyl ester
Formula:	C₃₁H₅₄O₃S
MolecularWeight:	506.82366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C)SC1=CC=CC=C1C(=O)OCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)SC1=CC=CC=C1C(=O)OCCCC

InChI

InChI=1S/C31H54O3S/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-33-28(3)35-30-25-22-21-24-29(30)31(32)34-26-7-5-2/h21-22,24-25,28H,4-20,23,26-27H2,1-3H3

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