2-[2,4-bis(2-methylheptan-2-yl)-6-sulfo-phenoxy]ethanoic acid

Systemtic Name: 2-[2,4-bis(2-methylheptan-2-yl)-6-sulfo-phenoxy]ethanoic acid Openeye Name: 2-[2,4-bis(1,1-dimethylhexyl)-6-sulfo-phenoxy]acetic acid CAS Name: 2-[2,4-bis(2-methylheptan-2-yl)-6-sulfophenoxy]acetic acid IUPAC Name: 2-[2,4-bis(2-methylheptan-2-yl)-6-sulfophenoxy]acetic acid Traditional Name: 2-[2,4-bis(1,1-dimethylhexyl)-6-sulfo-phenoxy]acetic acid Formula: C24H40O6S MolecularWeight: 456.6358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=C(C(=C1)S(=O)(=O)O)OCC(=O)O)C(C)(C)CCCCC

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=C(C(=C1)S(=O)(=O)O)OCC(=O)O)C(C)(C)CCCCC

InChI

InChI=1S/C24H40O6S/c1-7-9-11-13-23(3,4)18-15-19(24(5,6)14-12-10-8-2)22(30-17-21(25)26)20(16-18)31(27,28)29/h15-16H,7-14,17H2,1-6H3,(H,25,26)(H,27,28,29)