2-decyl-2-(3-methylbutyl)-3-sulfo-butanedioic acid

Systemtic Name: 2-decyl-2-(3-methylbutyl)-3-sulfo-butanedioic acid Openeye Name: 2-decyl-2-isopentyl-3-sulfo-butanedioic acid CAS Name: 2-decyl-2-(3-methylbutyl)-3-sulfobutanedioic acid IUPAC Name: 2-decyl-2-(3-methylbutyl)-3-sulfobutanedioic acid Traditional Name: 2-decyl-2-isoamyl-3-sulfo-succinic acid Formula: C19H36O7S MolecularWeight: 408.54994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCC(C)C)(C(C(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCC(CCC(C)C)(C(C(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C19H36O7S/c1-4-5-6-7-8-9-10-11-13-19(18(22)23,14-12-15(2)3)16(17(20)21)27(24,25)26/h15-16H,4-14H2,1-3H3,(H,20,21)(H,22,23)(H,24,25,26)