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2-(1-octadecoxyethoxy)benzenecarbothioic S-acid

2-(1-octadecoxyethoxy)benzenecarbothioic S-acid

Systemtic Name:2-(1-octadecoxyethoxy)benzenecarbothioic S-acid
Openeye Name:2-(1-octadecoxyethoxy)benzenecarbothioic S-acid
CAS Name:2-(1-octadecoxyethoxy)benzenecarbothioic S-acid
IUPAC Name:2-(1-octadecoxyethoxy)benzenecarbothioic S-acid
Traditional Name:2-(1-stearyloxyethoxy)thiobenzoic acid
Formula: C27H46O3S
MolecularWeight: 450.71734
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C)OC1=CC=CC=C1C(=O)S


Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)OC1=CC=CC=C1C(=O)S


InChI

InChI=1S/C27H46O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-29-24(2)30-26-22-19-18-21-25(26)27(28)31/h18-19,21-22,24H,3-17,20,23H2,1-2H3,(H,28,31)


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