2,3-bis(2,6-dimethylheptan-4-yl)-2-sulfo-butanedioic acid

Systemtic Name: 2,3-bis(2,6-dimethylheptan-4-yl)-2-sulfo-butanedioic acid Openeye Name: 2,3-bis(1-isobutyl-3-methyl-butyl)-2-sulfo-butanedioic acid CAS Name: 2,3-bis(2,6-dimethylheptan-4-yl)-2-sulfobutanedioic acid IUPAC Name: 2,3-bis(2,6-dimethylheptan-4-yl)-2-sulfobutanedioic acid Traditional Name: 2,3-bis(1-isobutyl-3-methyl-butyl)-2-sulfo-succinic acid Formula: C22H42O7S MolecularWeight: 450.62968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C)C)C(C(=O)O)C(C(CC(C)C)CC(C)C)(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(C)CC(CC(C)C)C(C(=O)O)C(C(CC(C)C)CC(C)C)(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H42O7S/c1-13(2)9-17(10-14(3)4)19(20(23)24)22(21(25)26,30(27,28)29)18(11-15(5)6)12-16(7)8/h13-19H,9-12H2,1-8H3,(H,23,24)(H,25,26)(H,27,28,29)