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

Systemtic Name: 2,2-di(heptan-2-yl)-3-sulfo-butanedioic acid Openeye Name: 2,2-bis(1-methylhexyl)-3-sulfo-butanedioic acid CAS Name: 2,2-di(heptan-2-yl)-3-sulfobutanedioic acid IUPAC Name: 2,2-di(heptan-2-yl)-3-sulfobutanedioic acid Traditional Name: 2,2-bis(1-methylhexyl)-3-sulfo-succinic acid Formula: C18H34O7S MolecularWeight: 394.52336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(C(C)CCCCC)(C(C(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCCCC(C)C(C(C)CCCCC)(C(C(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C18H34O7S/c1-5-7-9-11-13(3)18(17(21)22,14(4)12-10-8-6-2)15(16(19)20)26(23,24)25/h13-15H,5-12H2,1-4H3,(H,19,20)(H,21,22)(H,23,24,25)