S-icosan-2-yl 2-oxidanylbenzenecarbothioate

Systemtic Name: S-icosan-2-yl 2-oxidanylbenzenecarbothioate Openeye Name: S-(1-methylnonadecyl) 2-hydroxybenzenecarbothioate CAS Name: 2-hydroxybenzenecarbothioic acid S-eicosan-2-yl ester IUPAC Name: S-icosan-2-yl 2-hydroxybenzenecarbothioate Traditional Name: 2-hydroxythiobenzoic acid S-(1-methylnonadecyl) ester Formula: C27H46O2S MolecularWeight: 434.71794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C)SC(=O)C1=CC=CC=C1O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C)SC(=O)C1=CC=CC=C1O

InChI

InChI=1S/C27H46O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(2)30-27(29)25-22-19-20-23-26(25)28/h19-20,22-24,28H,3-18,21H2,1-2H3