2-(1-octadecoxyethyl)-2-sulfanyl-butanedioic acid

Systemtic Name: 2-(1-octadecoxyethyl)-2-sulfanyl-butanedioic acid Openeye Name: 2-(1-octadecoxyethyl)-2-sulfanyl-butanedioic acid CAS Name: 2-mercapto-2-(1-octadecoxyethyl)butanedioic acid IUPAC Name: 2-(1-octadecoxyethyl)-2-sulfanylbutanedioic acid Traditional Name: 2-mercapto-2-(1-stearyloxyethyl)succinic acid Formula: C24H46O5S MolecularWeight: 446.68404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C)C(CC(=O)O)(C(=O)O)S

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)C(CC(=O)O)(C(=O)O)S

InChI

InChI=1S/C24H46O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29-21(2)24(30,23(27)28)20-22(25)26/h21,30H,3-20H2,1-2H3,(H,25,26)(H,27,28)