2,3-di(hexan-2-yl)-2-sulfo-butanedioic acid

Systemtic Name: 2,3-di(hexan-2-yl)-2-sulfo-butanedioic acid Openeye Name: 2,3-bis(1-methylpentyl)-2-sulfo-butanedioic acid CAS Name: 2,3-di(hexan-2-yl)-2-sulfobutanedioic acid IUPAC Name: 2,3-di(hexan-2-yl)-2-sulfobutanedioic acid Traditional Name: 2,3-bis(1-methylpentyl)-2-sulfo-succinic acid Formula: C16H30O7S MolecularWeight: 366.4702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(C(=O)O)C(C(C)CCCC)(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCC(C)C(C(=O)O)C(C(C)CCCC)(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H30O7S/c1-5-7-9-11(3)13(14(17)18)16(15(19)20,24(21,22)23)12(4)10-8-6-2/h11-13H,5-10H2,1-4H3,(H,17,18)(H,19,20)(H,21,22,23)