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

Systemtic Name: 2-(1-hexadecoxyethyl)-2-sulfanyl-butanedioic acid Openeye Name: 2-(1-hexadecoxyethyl)-2-sulfanyl-butanedioic acid CAS Name: 2-(1-hexadecoxyethyl)-2-mercaptobutanedioic acid IUPAC Name: 2-(1-hexadecoxyethyl)-2-sulfanylbutanedioic acid Traditional Name: 2-(1-cetyloxyethyl)-2-mercapto-succinic acid Formula: C22H42O5S MolecularWeight: 418.63088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(C)C(CC(=O)O)(C(=O)O)S

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C)C(CC(=O)O)(C(=O)O)S

InChI

InChI=1S/C22H42O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27-19(2)22(28,21(25)26)18-20(23)24/h19,28H,3-18H2,1-2H3,(H,23,24)(H,25,26)