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3,4-bis(3-octylsulfanylpropyl)phthalic acid

3,4-bis(3-octylsulfanylpropyl)phthalic acid

Systemtic Name:3,4-bis(3-octylsulfanylpropyl)phthalic acid
Openeye Name:3,4-bis(3-octylsulfanylpropyl)phthalic acid
CAS Name:3,4-bis[3-(octylthio)propyl]phthalic acid
IUPAC Name:3,4-bis(3-octylsulfanylpropyl)phthalic acid
Traditional Name:3,4-bis[3-(octylthio)propyl]phthalic acid
Formula: C30H50O4S2
MolecularWeight: 538.8456
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CCCSCCCCCCCC


Isomeric SMILES

CCCCCCCCSCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CCCSCCCCCCCC


InChI

InChI=1S/C30H50O4S2/c1-3-5-7-9-11-13-21-35-23-15-17-25-19-20-27(29(31)32)28(30(33)34)26(25)18-16-24-36-22-14-12-10-8-6-4-2/h19-20H,3-18,21-24H2,1-2H3,(H,31,32)(H,33,34)


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