2,2-di(octanoyl)-3-sulfo-butanedioic acid

Systemtic Name: 2,2-di(octanoyl)-3-sulfo-butanedioic acid Openeye Name: 2,2-di(octanoyl)-3-sulfo-butanedioic acid CAS Name: 2,2-bis(1-oxooctyl)-3-sulfobutanedioic acid IUPAC Name: 2,2-di(octanoyl)-3-sulfobutanedioic acid Traditional Name: 2,2-dicaprylyl-3-sulfo-succinic acid Formula: C20H34O9S MolecularWeight: 450.54356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C(C(C(=O)O)S(=O)(=O)O)(C(=O)CCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)C(C(C(=O)O)S(=O)(=O)O)(C(=O)CCCCCCC)C(=O)O

InChI

InChI=1S/C20H34O9S/c1-3-5-7-9-11-13-15(21)20(19(25)26,17(18(23)24)30(27,28)29)16(22)14-12-10-8-6-4-2/h17H,3-14H2,1-2H3,(H,23,24)(H,25,26)(H,27,28,29)