5-octadecylsulfanylthiophene-2-carboxylic acid

Systemtic Name: 5-octadecylsulfanylthiophene-2-carboxylic acid Openeye Name: 5-octadecylsulfanylthiophene-2-carboxylic acid CAS Name: 5-(octadecylthio)-2-thiophenecarboxylic acid IUPAC Name: 5-octadecylsulfanylthiophene-2-carboxylic acid Traditional Name: 5-(stearylthio)-2-thenoic acid Formula: C23H40O2S2 MolecularWeight: 412.6925

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=CC=C(S1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=CC=C(S1)C(=O)O

InChI

InChI=1S/C23H40O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22-19-18-21(27-22)23(24)25/h18-19H,2-17,20H2,1H3,(H,24,25)