3,4-bis[1-(3-oxidanyldodecylsulfanyl)propyl]phthalic acid

Systemtic Name: 3,4-bis[1-(3-oxidanyldodecylsulfanyl)propyl]phthalic acid Openeye Name: 3,4-bis[1-(3-hydroxydodecylsulfanyl)propyl]phthalic acid CAS Name: 3,4-bis[1-(3-hydroxydodecylthio)propyl]phthalic acid IUPAC Name: 3,4-bis[1-(3-hydroxydodecylsulfanyl)propyl]phthalic acid Traditional Name: 3,4-bis[1-(3-hydroxydodecylthio)propyl]phthalic acid Formula: C38H66O6S2 MolecularWeight: 683.05704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCSC(CC)C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(CC)SCCC(CCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCC(CCSC(CC)C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(CC)SCCC(CCCCCCCCC)O)O

InChI

InChI=1S/C38H66O6S2/c1-5-9-11-13-15-17-19-21-29(39)25-27-45-33(7-3)31-23-24-32(37(41)42)36(38(43)44)35(31)34(8-4)46-28-26-30(40)22-20-18-16-14-12-10-6-2/h23-24,29-30,33-34,39-40H,5-22,25-28H2,1-4H3,(H,41,42)(H,43,44)