3-(3-methyl-1-oxidanyl-1-oxidanylidene-heptadecan-2-yl)-1,2-dithiirane-3-carboxylic acid

Systemtic Name: 3-(3-methyl-1-oxidanyl-1-oxidanylidene-heptadecan-2-yl)-1,2-dithiirane-3-carboxylic acid Openeye Name: 3-(1-carboxy-2-methyl-hexadecyl)dithiirane-3-carboxylic acid CAS Name: 3-(1-hydroxy-3-methyl-1-oxoheptadecan-2-yl)-3-dithiiranecarboxylic acid IUPAC Name: 3-(1-hydroxy-3-methyl-1-oxoheptadecan-2-yl)dithiirane-3-carboxylic acid Traditional Name: 3-(1-carboxy-2-methyl-hexadecyl)dithiirane-3-carboxylic acid Formula: C20H36O4S2 MolecularWeight: 404.62744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)C(C(=O)O)C1(SS1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(C)C(C(=O)O)C1(SS1)C(=O)O

InChI

InChI=1S/C20H36O4S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17(18(21)22)20(19(23)24)25-26-20/h16-17H,3-15H2,1-2H3,(H,21,22)(H,23,24)