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

Systemtic Name: (3R,4R)-3-octyl-1-oxidanylidene-3,4-dihydroisothiochromene-4-carboxylic acid Openeye Name: (3R,4R)-3-octyl-1-oxo-isothiochromane-4-carboxylic acid CAS Name: (3R,4R)-3-octyl-1-oxo-3,4-dihydro-2-benzothiopyran-4-carboxylic acid IUPAC Name: (3R,4R)-3-octyl-1-oxo-3,4-dihydroisothiochromene-4-carboxylic acid Traditional Name: (3R,4R)-1-keto-3-octyl-isothiochroman-4-carboxylic acid Formula: C18H24O3S MolecularWeight: 320.44636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(C2=CC=CC=C2C(=O)S1)C(=O)O

Isomeric SMILES

CCCCCCCC[C@@H]1[C@H](C2=CC=CC=C2C(=O)S1)C(=O)O

InChI

InChI=1S/C18H24O3S/c1-2-3-4-5-6-7-12-15-16(17(19)20)13-10-8-9-11-14(13)18(21)22-15/h8-11,15-16H,2-7,12H2,1H3,(H,19,20)/t15-,16+/m1/s1