(4R)-3-nonyl-1-oxidanylidene-3,4-dihydroisothiochromene-4-carboxylic acid

Systemtic Name: (4R)-3-nonyl-1-oxidanylidene-3,4-dihydroisothiochromene-4-carboxylic acid Openeye Name: (4R)-3-nonyl-1-oxo-isothiochromane-4-carboxylic acid CAS Name: (4R)-3-nonyl-1-oxo-3,4-dihydro-2-benzothiopyran-4-carboxylic acid IUPAC Name: (4R)-3-nonyl-1-oxo-3,4-dihydroisothiochromene-4-carboxylic acid Traditional Name: (4R)-1-keto-3-nonyl-isothiochroman-4-carboxylic acid Formula: C19H26O3S MolecularWeight: 334.47294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1C(C2=CC=CC=C2C(=O)S1)C(=O)O

Isomeric SMILES

CCCCCCCCCC1[C@H](C2=CC=CC=C2C(=O)S1)C(=O)O

InChI

InChI=1S/C19H26O3S/c1-2-3-4-5-6-7-8-13-16-17(18(20)21)14-11-9-10-12-15(14)19(22)23-16/h9-12,16-17H,2-8,13H2,1H3,(H,20,21)/t16?,17-/m0/s1