4,5-dibutyl-2-sulfo-benzene-1,3-dicarboxylic acid

Systemtic Name: 4,5-dibutyl-2-sulfo-benzene-1,3-dicarboxylic acid Openeye Name: 4,5-dibutyl-2-sulfo-benzene-1,3-dicarboxylic acid CAS Name: 4,5-dibutyl-2-sulfobenzene-1,3-dicarboxylic acid IUPAC Name: 4,5-dibutyl-2-sulfobenzene-1,3-dicarboxylic acid Traditional Name: 4,5-dibutyl-2-sulfo-isophthalic acid Formula: C16H22O7S MolecularWeight: 358.40668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C(=C1)C(=O)O)S(=O)(=O)O)C(=O)O)CCCC

Isomeric SMILES

CCCCC1=C(C(=C(C(=C1)C(=O)O)S(=O)(=O)O)C(=O)O)CCCC

InChI

InChI=1S/C16H22O7S/c1-3-5-7-10-9-12(15(17)18)14(24(21,22)23)13(16(19)20)11(10)8-6-4-2/h9H,3-8H2,1-2H3,(H,17,18)(H,19,20)(H,21,22,23)