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

Systemtic Name: 3-(3-methyl-1-oxidanyl-1-oxidanylidene-henicosan-2-yl)-1,2-dithiirane-3-carboxylic acid Openeye Name: 3-(1-carboxy-2-methyl-icosyl)dithiirane-3-carboxylic acid CAS Name: 3-(1-hydroxy-3-methyl-1-oxoheneicosan-2-yl)-3-dithiiranecarboxylic acid IUPAC Name: 3-(1-hydroxy-3-methyl-1-oxohenicosan-2-yl)dithiirane-3-carboxylic acid Traditional Name: 3-(1-carboxy-2-methyl-eicosyl)dithiirane-3-carboxylic acid Formula: C24H44O4S2 MolecularWeight: 460.73376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C)C(C(=O)O)C1(SS1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C)C(C(=O)O)C1(SS1)C(=O)O

InChI

InChI=1S/C24H44O4S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(22(25)26)24(23(27)28)29-30-24/h20-21H,3-19H2,1-2H3,(H,25,26)(H,27,28)