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

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

Systemtic Name:3,4-bis[1-(3-oxidanyloctylsulfanyl)propyl]phthalic acid
Openeye Name:3,4-bis[1-(3-hydroxyoctylsulfanyl)propyl]phthalic acid
CAS Name:3,4-bis[1-(3-hydroxyoctylthio)propyl]phthalic acid
IUPAC Name:3,4-bis[1-(3-hydroxyoctylsulfanyl)propyl]phthalic acid
Traditional Name:3,4-bis[1-(3-hydroxyoctylthio)propyl]phthalic acid
Formula: C30H50O6S2
MolecularWeight: 570.8444
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCSC(CC)C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(CC)SCCC(CCCCC)O)O


Isomeric SMILES

CCCCCC(CCSC(CC)C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(CC)SCCC(CCCCC)O)O


InChI

InChI=1S/C30H50O6S2/c1-5-9-11-13-21(31)17-19-37-25(7-3)23-15-16-24(29(33)34)28(30(35)36)27(23)26(8-4)38-20-18-22(32)14-12-10-6-2/h15-16,21-22,25-26,31-32H,5-14,17-20H2,1-4H3,(H,33,34)(H,35,36)


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