naphthalene-1,2,3-trisulfonic acid; phthalic acid

Systemtic Name: naphthalene-1,2,3-trisulfonic acid; phthalic acid Openeye Name: naphthalene-1,2,3-trisulfonic acid; phthalic acid CAS Name: naphthalene-1,2,3-trisulfonic acid; phthalic acid IUPAC Name: naphthalene-1,2,3-trisulfonic acid; phthalic acid Traditional Name: naphthalene-1,2,3-trisulfonic acid; phthalic acid Formula: C26H20O17S3 MolecularWeight: 700.6218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=C2S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.C1=CC=C(C(=C1)C(=O)O)C(=O)O.C1=CC=C(C(=C1)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=C2S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.C1=CC=C(C(=C1)C(=O)O)C(=O)O.C1=CC=C(C(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C10H8O9S3.2C8H6O4/c11-20(12,13)8-5-6-3-1-2-4-7(6)9(21(14,15)16)10(8)22(17,18)19;2*9-7(10)5-3-1-2-4-6(5)8(11)12/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19);2*1-4H,(H,9,10)(H,11,12)