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

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

Systemtic Name:3,4-bis[1-(3-oxidanylhexylsulfanyl)propyl]phthalic acid
Openeye Name:3,4-bis[1-(3-hydroxyhexylsulfanyl)propyl]phthalic acid
CAS Name:3,4-bis[1-(3-hydroxyhexylthio)propyl]phthalic acid
IUPAC Name:3,4-bis[1-(3-hydroxyhexylsulfanyl)propyl]phthalic acid
Traditional Name:3,4-bis[1-(3-hydroxyhexylthio)propyl]phthalic acid
Formula: C26H42O6S2
MolecularWeight: 514.73808
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCSC(CC)C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(CC)SCCC(CCC)O)O


Isomeric SMILES

CCCC(CCSC(CC)C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(CC)SCCC(CCC)O)O


InChI

InChI=1S/C26H42O6S2/c1-5-9-17(27)13-15-33-21(7-3)19-11-12-20(25(29)30)24(26(31)32)23(19)22(8-4)34-16-14-18(28)10-6-2/h11-12,17-18,21-22,27-28H,5-10,13-16H2,1-4H3,(H,29,30)(H,31,32)


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