(3S,4S)-1-methylidene-3-undecyl-3,4-dihydroisothiochromene-4-carboxylic acid

Systemtic Name: (3S,4S)-1-methylidene-3-undecyl-3,4-dihydroisothiochromene-4-carboxylic acid Openeye Name: (3S,4S)-1-methylene-3-undecyl-isothiochromane-4-carboxylic acid CAS Name: (3S,4S)-1-methylene-3-undecyl-3,4-dihydro-2-benzothiopyran-4-carboxylic acid IUPAC Name: (3S,4S)-1-methylidene-3-undecyl-3,4-dihydroisothiochromene-4-carboxylic acid Traditional Name: (3S,4S)-1-methylene-3-undecyl-isothiochroman-4-carboxylic acid Formula: C22H32O2S MolecularWeight: 360.55328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1C(C2=CC=CC=C2C(=C)S1)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H32O2S/c1-3-4-5-6-7-8-9-10-11-16-20-21(22(23)24)19-15-13-12-14-18(19)17(2)25-20/h12-15,20-21H,2-11,16H2,1H3,(H,23,24)/t20-,21+/m0/s1