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

Systemtic Name: (3R,4R)-3-heptyl-1-oxidanylidene-3,4-dihydroisothiochromene-4-carboxylic acid Openeye Name: (3R,4R)-3-heptyl-1-oxo-isothiochromane-4-carboxylic acid CAS Name: (3R,4R)-3-heptyl-1-oxo-3,4-dihydro-2-benzothiopyran-4-carboxylic acid IUPAC Name: (3R,4R)-3-heptyl-1-oxo-3,4-dihydroisothiochromene-4-carboxylic acid Traditional Name: (3R,4R)-3-heptyl-1-keto-isothiochroman-4-carboxylic acid Formula: C17H22O3S MolecularWeight: 306.41978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(C2=CC=CC=C2C(=O)S1)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H22O3S/c1-2-3-4-5-6-11-14-15(16(18)19)12-9-7-8-10-13(12)17(20)21-14/h7-10,14-15H,2-6,11H2,1H3,(H,18,19)/t14-,15+/m1/s1