7-butyl-3,4-dihydro-2H-thiochromene-4-carboxylic acid

Systemtic Name: 7-butyl-3,4-dihydro-2H-thiochromene-4-carboxylic acid Openeye Name: 7-butylthiochromane-4-carboxylic acid CAS Name: 7-butyl-3,4-dihydro-2H-1-benzothiopyran-4-carboxylic acid IUPAC Name: 7-butyl-3,4-dihydro-2H-thiochromene-4-carboxylic acid Traditional Name: 7-butylthiochroman-4-carboxylic acid Formula: C14H18O2S MolecularWeight: 250.35652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)C(CCS2)C(=O)O

Isomeric SMILES

CCCCC1=CC2=C(C=C1)C(CCS2)C(=O)O

InChI

InChI=1S/C14H18O2S/c1-2-3-4-10-5-6-11-12(14(15)16)7-8-17-13(11)9-10/h5-6,9,12H,2-4,7-8H2,1H3,(H,15,16)