octane-1,1,7,8-tetrol; 2-sulfobenzene-1,3-dicarboxylic acid

Systemtic Name: octane-1,1,7,8-tetrol; 2-sulfobenzene-1,3-dicarboxylic acid Openeye Name: octane-1,1,7,8-tetrol; 2-sulfobenzene-1,3-dicarboxylic acid CAS Name: octane-1,1,7,8-tetrol; 2-sulfobenzene-1,3-dicarboxylic acid IUPAC Name: octane-1,1,7,8-tetrol; 2-sulfobenzene-1,3-dicarboxylic acid Traditional Name: octane-1,1,7,8-tetrol; 2-sulfoisophthalic acid Formula: C16H24O11S MolecularWeight: 424.42016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C(=O)O)S(=O)(=O)O)C(=O)O.C(CCC(CO)O)CCC(O)O

Isomeric SMILES

C1=CC(=C(C(=C1)C(=O)O)S(=O)(=O)O)C(=O)O.C(CCC(CO)O)CCC(O)O

InChI

InChI=1S/C8H6O7S.C8H18O4/c9-7(10)4-2-1-3-5(8(11)12)6(4)16(13,14)15;9-6-7(10)4-2-1-3-5-8(11)12/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);7-12H,1-6H2