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

Systemtic Name: 3,4-bis(1-carboxysulfanyl-1-octadecylsulfanyl-propyl)phthalic acid Openeye Name: 3,4-bis(1-carboxysulfanyl-1-octadecylsulfanyl-propyl)phthalic acid CAS Name: 3,4-bis[1-(carboxythio)-1-(octadecylthio)propyl]phthalic acid IUPAC Name: 3,4-bis(1-carboxysulfanyl-1-octadecylsulfanylpropyl)phthalic acid Traditional Name: 3,4-bis[1-(carboxythio)-1-(stearylthio)propyl]phthalic acid Formula: C52H90O8S4 MolecularWeight: 971.5262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC(CC)(C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(CC)(SCCCCCCCCCCCCCCCCCC)SC(=O)O)SC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC(CC)(C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(CC)(SCCCCCCCCCCCCCCCCCC)SC(=O)O)SC(=O)O

InChI

InChI=1S/C52H90O8S4/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41-61-51(7-3,63-49(57)58)44-40-39-43(47(53)54)45(48(55)56)46(44)52(8-4,64-50(59)60)62-42-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h39-40H,5-38,41-42H2,1-4H3,(H,53,54)(H,55,56)(H,57,58)(H,59,60)