3-(1,3-benzothiazol-2-ylsulfanyloxycarbonyl)-3-decyl-tridecanoic acid

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyloxycarbonyl)-3-decyl-tridecanoic acid Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyloxycarbonyl)-3-decyl-tridecanoic acid CAS Name: 3-[(1,3-benzothiazol-2-ylthio)oxy-oxomethyl]-3-decyltridecanoic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyloxycarbonyl)-3-decyltridecanoic acid Traditional Name: 3-(1,3-benzothiazol-2-ylthio)oxycarbonyl-3-decyl-tridecanoic acid Formula: C31H49NO4S2 MolecularWeight: 563.85506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCCCC)(CC(=O)O)C(=O)OSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCCCC)(CC(=O)O)C(=O)OSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C31H49NO4S2/c1-3-5-7-9-11-13-15-19-23-31(25-28(33)34,24-20-16-14-12-10-8-6-4-2)29(35)36-38-30-32-26-21-17-18-22-27(26)37-30/h17-18,21-22H,3-16,19-20,23-25H2,1-2H3,(H,33,34)