4-[2-[3-[(2-nonyl-1,3-dithian-2-yl)sulfanyl]propylsulfanyl]undecanoyl]benzoic acid

Systemtic Name: 4-[2-[3-[(2-nonyl-1,3-dithian-2-yl)sulfanyl]propylsulfanyl]undecanoyl]benzoic acid Openeye Name: 4-[2-[3-[(2-nonyl-1,3-dithian-2-yl)sulfanyl]propylsulfanyl]undecanoyl]benzoic acid CAS Name: 4-[2-[3-[(2-nonyl-1,3-dithian-2-yl)thio]propylthio]-1-oxoundecyl]benzoic acid IUPAC Name: 4-[2-[3-[(2-nonyl-1,3-dithian-2-yl)sulfanyl]propylsulfanyl]undecanoyl]benzoic acid Traditional Name: 4-[2-[3-[(2-nonyl-1,3-dithian-2-yl)thio]propylthio]undecanoyl]benzoic acid Formula: C34H56O3S4 MolecularWeight: 641.06664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C(=O)C1=CC=C(C=C1)C(=O)O)SCCCSC2(SCCCS2)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC(C(=O)C1=CC=C(C=C1)C(=O)O)SCCCSC2(SCCCS2)CCCCCCCCC

InChI

InChI=1S/C34H56O3S4/c1-3-5-7-9-11-13-15-19-31(32(35)29-20-22-30(23-21-29)33(36)37)38-25-17-26-39-34(40-27-18-28-41-34)24-16-14-12-10-8-6-4-2/h20-23,31H,3-19,24-28H2,1-2H3,(H,36,37)