4-[2-[3-[3-[1-(4-carboxyphenyl)-1-oxidanylidene-octan-2-yl]sulfanylpropyldisulfanyl]propylsulfanyl]octanoyl]benzoic acid

Systemtic Name: 4-[2-[3-[3-[1-(4-carboxyphenyl)-1-oxidanylidene-octan-2-yl]sulfanylpropyldisulfanyl]propylsulfanyl]octanoyl]benzoic acid Openeye Name: 4-[2-[3-[3-[1-(4-carboxybenzoyl)heptylsulfanyl]propyldisulfanyl]propylsulfanyl]octanoyl]benzoic acid CAS Name: 4-[2-[3-[3-[[1-(4-carboxyphenyl)-1-oxooctan-2-yl]thio]propyldisulfanyl]propylthio]-1-oxooctyl]benzoic acid IUPAC Name: 4-[2-[3-[3-[1-(4-carboxyphenyl)-1-oxooctan-2-yl]sulfanylpropyldisulfanyl]propylsulfanyl]octanoyl]benzoic acid Traditional Name: 4-[2-[3-[3-[1-(4-carboxybenzoyl)heptylthio]propyldisulfanyl]propylthio]octanoyl]benzoic acid Formula: C36H50O6S4 MolecularWeight: 707.0386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)C1=CC=C(C=C1)C(=O)O)SCCCSSCCCSC(CCCCCC)C(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCC(C(=O)C1=CC=C(C=C1)C(=O)O)SCCCSSCCCSC(CCCCCC)C(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C36H50O6S4/c1-3-5-7-9-13-31(33(37)27-15-19-29(20-16-27)35(39)40)43-23-11-25-45-46-26-12-24-44-32(14-10-8-6-4-2)34(38)28-17-21-30(22-18-28)36(41)42/h15-22,31-32H,3-14,23-26H2,1-2H3,(H,39,40)(H,41,42)