2-propyl-3,5-disulfo-benzoic acid

Systemtic Name: 2-propyl-3,5-disulfo-benzoic acid Openeye Name: 2-propyl-3,5-disulfo-benzoic acid CAS Name: 2-propyl-3,5-disulfobenzoic acid IUPAC Name: 2-propyl-3,5-disulfobenzoic acid Traditional Name: 2-propyl-3,5-disulfo-benzoic acid Formula: C10H12O8S2 MolecularWeight: 324.32748

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1C(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCC1=C(C=C(C=C1C(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C10H12O8S2/c1-2-3-7-8(10(11)12)4-6(19(13,14)15)5-9(7)20(16,17)18/h4-5H,2-3H2,1H3,(H,11,12)(H,13,14,15)(H,16,17,18)