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

Systemtic Name: 3,4-bis[3-(hydroxymethylsulfanyl)propyl]phthalic acid Openeye Name: 3,4-bis[3-(hydroxymethylsulfanyl)propyl]phthalic acid CAS Name: 3,4-bis[3-(hydroxymethylthio)propyl]phthalic acid IUPAC Name: 3,4-bis[3-(hydroxymethylsulfanyl)propyl]phthalic acid Traditional Name: 3,4-bis[3-(methylolthio)propyl]phthalic acid Formula: C16H22O6S2 MolecularWeight: 374.47228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1CCCSCO)CCCSCO)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1CCCSCO)CCCSCO)C(=O)O)C(=O)O

InChI

InChI=1S/C16H22O6S2/c17-9-23-7-1-3-11-5-6-13(15(19)20)14(16(21)22)12(11)4-2-8-24-10-18/h5-6,17-18H,1-4,7-10H2,(H,19,20)(H,21,22)