4-(4-sulfobutylsulfonyl)phthalic acid

Systemtic Name: 4-(4-sulfobutylsulfonyl)phthalic acid Openeye Name: 4-(4-sulfobutylsulfonyl)phthalic acid CAS Name: 4-(4-sulfobutylsulfonyl)phthalic acid IUPAC Name: 4-(4-sulfobutylsulfonyl)phthalic acid Traditional Name: 4-(4-sulfobutylsulfonyl)phthalic acid Formula: C12H14O9S2 MolecularWeight: 366.36416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)CCCCS(=O)(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)CCCCS(=O)(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C12H14O9S2/c13-11(14)9-4-3-8(7-10(9)12(15)16)22(17,18)5-1-2-6-23(19,20)21/h3-4,7H,1-2,5-6H2,(H,13,14)(H,15,16)(H,19,20,21)