2-[2-(carboxymethyl)-2-sulfo-icosanoyl]oxybutanedioic acid

Systemtic Name: 2-[2-(carboxymethyl)-2-sulfo-icosanoyl]oxybutanedioic acid Openeye Name: 2-[2-(carboxymethyl)-2-sulfo-icosanoyl]oxybutanedioic acid CAS Name: 2-[2-(carboxymethyl)-1-oxo-2-sulfoeicosoxy]butanedioic acid IUPAC Name: 2-[2-(carboxymethyl)-2-sulfoicosanoyl]oxybutanedioic acid Traditional Name: 2-[2-(carboxymethyl)-2-sulfo-eicosanoyl]oxysuccinic acid Formula: C26H46O11S MolecularWeight: 566.70184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CC(=O)O)(C(=O)OC(CC(=O)O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CC(=O)O)(C(=O)OC(CC(=O)O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C26H46O11S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(20-23(29)30,38(34,35)36)25(33)37-21(24(31)32)19-22(27)28/h21H,2-20H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,34,35,36)