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

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

Systemtic Name:3,4-bis[3-(carboxymethylsulfanyl)propyl]phthalic acid
Openeye Name:3,4-bis[3-(carboxymethylsulfanyl)propyl]phthalic acid
CAS Name:3,4-bis[3-(carboxymethylthio)propyl]phthalic acid
IUPAC Name:3,4-bis[3-(carboxymethylsulfanyl)propyl]phthalic acid
Traditional Name:3,4-bis[3-(carboxymethylthio)propyl]phthalic acid
Formula: C18H22O8S2
MolecularWeight: 430.49248
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1CCCSCC(=O)O)CCCSCC(=O)O)C(=O)O)C(=O)O


Isomeric SMILES

C1=CC(=C(C(=C1CCCSCC(=O)O)CCCSCC(=O)O)C(=O)O)C(=O)O


InChI

InChI=1S/C18H22O8S2/c19-14(20)9-27-7-1-3-11-5-6-13(17(23)24)16(18(25)26)12(11)4-2-8-28-10-15(21)22/h5-6H,1-4,7-10H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)


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