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

Systemtic Name: 3,4-bis(3-methylsulfanylpropyl)phthalic acid Openeye Name: 3,4-bis(3-methylsulfanylpropyl)phthalic acid CAS Name: 3,4-bis[3-(methylthio)propyl]phthalic acid IUPAC Name: 3,4-bis(3-methylsulfanylpropyl)phthalic acid Traditional Name: 3,4-bis[3-(methylthio)propyl]phthalic acid Formula: C16H22O4S2 MolecularWeight: 342.47348

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CCCSC

Isomeric SMILES

CSCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CCCSC

InChI

InChI=1S/C16H22O4S2/c1-21-9-3-5-11-7-8-13(15(17)18)14(16(19)20)12(11)6-4-10-22-2/h7-8H,3-6,9-10H2,1-2H3,(H,17,18)(H,19,20)