2-(16-methylheptadecyl)-2-sulfo-butanedioic acid

Systemtic Name: 2-(16-methylheptadecyl)-2-sulfo-butanedioic acid Openeye Name: 2-(16-methylheptadecyl)-2-sulfo-butanedioic acid CAS Name: 2-(16-methylheptadecyl)-2-sulfobutanedioic acid IUPAC Name: 2-(16-methylheptadecyl)-2-sulfobutanedioic acid Traditional Name: 2-(16-methylheptadecyl)-2-sulfo-succinic acid Formula: C22H42O7S MolecularWeight: 450.62968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42O7S/c1-19(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22(21(25)26,18-20(23)24)30(27,28)29/h19H,3-18H2,1-2H3,(H,23,24)(H,25,26)(H,27,28,29)