4,5-dihexyl-3-sulfo-phthalic acid

Systemtic Name: 4,5-dihexyl-3-sulfo-phthalic acid Openeye Name: 4,5-dihexyl-3-sulfo-phthalic acid CAS Name: 4,5-dihexyl-3-sulfophthalic acid IUPAC Name: 4,5-dihexyl-3-sulfophthalic acid Traditional Name: 4,5-dihexyl-3-sulfo-phthalic acid Formula: C20H30O7S MolecularWeight: 414.513

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C(=C1)C(=O)O)C(=O)O)S(=O)(=O)O)CCCCCC

Isomeric SMILES

CCCCCCC1=C(C(=C(C(=C1)C(=O)O)C(=O)O)S(=O)(=O)O)CCCCCC

InChI

InChI=1S/C20H30O7S/c1-3-5-7-9-11-14-13-16(19(21)22)17(20(23)24)18(28(25,26)27)15(14)12-10-8-6-4-2/h13H,3-12H2,1-2H3,(H,21,22)(H,23,24)(H,25,26,27)