3-(1H-benzimidazol-2-ylsulfanyloxycarbonyl)-3-decyl-tridecanoic acid

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanyloxycarbonyl)-3-decyl-tridecanoic acid Openeye Name: 3-(1H-benzimidazol-2-ylsulfanyloxycarbonyl)-3-decyl-tridecanoic acid CAS Name: 3-[(1H-benzimidazol-2-ylthio)oxy-oxomethyl]-3-decyltridecanoic acid IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanyloxycarbonyl)-3-decyltridecanoic acid Traditional Name: 3-(1H-benzimidazol-2-ylthio)oxycarbonyl-3-decyl-tridecanoic acid Formula: C31H50N2O4S MolecularWeight: 546.8047

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCCCC)(CC(=O)O)C(=O)OSC1=NC2=CC=CC=C2N1

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCCCC)(CC(=O)O)C(=O)OSC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C31H50N2O4S/c1-3-5-7-9-11-13-15-19-23-31(25-28(34)35,24-20-16-14-12-10-8-6-4-2)29(36)37-38-30-32-26-21-17-18-22-27(26)33-30/h17-18,21-22H,3-16,19-20,23-25H2,1-2H3,(H,32,33)(H,34,35)