4,5-dihexyl-3-sulfo-phthalate

Systemtic Name: 4,5-dihexyl-3-sulfo-phthalate Openeye Name: 4,5-dihexyl-3-sulfo-phthalate CAS Name: 4,5-dihexyl-3-sulfophthalate IUPAC Name: 4,5-dihexyl-3-sulfophthalate Traditional Name: 4,5-dihexyl-3-sulfo-phthalate Formula: C20H28O7S-2 MolecularWeight: 412.49712

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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)/p-2