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1-oxidanylidene-4-undecyl-3,4-dihydroisothiochromene-3-carboxylic acid

1-oxidanylidene-4-undecyl-3,4-dihydroisothiochromene-3-carboxylic acid

Systemtic Name:1-oxidanylidene-4-undecyl-3,4-dihydroisothiochromene-3-carboxylic acid
Openeye Name:1-oxo-4-undecyl-isothiochromane-3-carboxylic acid
CAS Name:1-oxo-4-undecyl-3,4-dihydro-2-benzothiopyran-3-carboxylic acid
IUPAC Name:1-oxo-4-undecyl-3,4-dihydroisothiochromene-3-carboxylic acid
Traditional Name:1-keto-4-undecyl-isothiochroman-3-carboxylic acid
Formula: C21H30O3S
MolecularWeight: 362.5261
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1C(SC(=O)C2=CC=CC=C12)C(=O)O


Isomeric SMILES

CCCCCCCCCCCC1C(SC(=O)C2=CC=CC=C12)C(=O)O


InChI

InChI=1S/C21H30O3S/c1-2-3-4-5-6-7-8-9-10-14-17-16-13-11-12-15-18(16)21(24)25-19(17)20(22)23/h11-13,15,17,19H,2-10,14H2,1H3,(H,22,23)


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