2-methyl-6-[4-(5-methyl-2-oxidanylidene-5-sulfo-hexyl)phenyl]-5-oxidanylidene-hexane-2-sulfonic acid

Systemtic Name: 2-methyl-6-[4-(5-methyl-2-oxidanylidene-5-sulfo-hexyl)phenyl]-5-oxidanylidene-hexane-2-sulfonic acid Openeye Name: 2-methyl-6-[4-(5-methyl-2-oxo-5-sulfo-hexyl)phenyl]-5-oxo-hexane-2-sulfonic acid CAS Name: 2-methyl-6-[4-(5-methyl-2-oxo-5-sulfohexyl)phenyl]-5-oxo-2-hexanesulfonic acid IUPAC Name: 2-methyl-6-[4-(5-methyl-2-oxo-5-sulfohexyl)phenyl]-5-oxohexane-2-sulfonic acid Traditional Name: 5-keto-6-[4-(2-keto-5-methyl-5-sulfo-hexyl)phenyl]-2-methyl-hexane-2-sulfonic acid Formula: C20H30O8S2 MolecularWeight: 462.5774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(=O)CC1=CC=C(C=C1)CC(=O)CCC(C)(C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(C)(CCC(=O)CC1=CC=C(C=C1)CC(=O)CCC(C)(C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H30O8S2/c1-19(2,29(23,24)25)11-9-17(21)13-15-5-7-16(8-6-15)14-18(22)10-12-20(3,4)30(26,27)28/h5-8H,9-14H2,1-4H3,(H,23,24,25)(H,26,27,28)