3,4-bis(1-octadecylsulfanyl-3-oxidanylsulfanyl-propyl)phthalic acid

Systemtic Name: 3,4-bis(1-octadecylsulfanyl-3-oxidanylsulfanyl-propyl)phthalic acid Openeye Name: 3,4-bis(3-hydroxysulfanyl-1-octadecylsulfanyl-propyl)phthalic acid CAS Name: 3,4-bis[3-(hydroxythio)-1-(octadecylthio)propyl]phthalic acid IUPAC Name: 3,4-bis(3-hydroxysulfanyl-1-octadecylsulfanylpropyl)phthalic acid Traditional Name: 3,4-bis[1-(stearylthio)-3-sulfeno-propyl]phthalic acid Formula: C50H90O6S4 MolecularWeight: 915.506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC(CCSO)C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(CCSO)SCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC(CCSO)C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(CCSO)SCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C50H90O6S4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-57-45(37-41-59-55)43-35-36-44(49(51)52)48(50(53)54)47(43)46(38-42-60-56)58-40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,45-46,55-56H,3-34,37-42H2,1-2H3,(H,51,52)(H,53,54)