8-chloranyl-5-methyl-4-propoxy-3,4-dihydro-2H-thiochromene-6-carboxylic acid

Systemtic Name: 8-chloranyl-5-methyl-4-propoxy-3,4-dihydro-2H-thiochromene-6-carboxylic acid Openeye Name: 8-chloro-5-methyl-4-propoxy-thiochromane-6-carboxylic acid CAS Name: 8-chloro-5-methyl-4-propoxy-3,4-dihydro-2H-1-benzothiopyran-6-carboxylic acid IUPAC Name: 8-chloro-5-methyl-4-propoxy-3,4-dihydro-2H-thiochromene-6-carboxylic acid Traditional Name: 8-chloro-5-methyl-4-propoxy-thiochroman-6-carboxylic acid Formula: C14H17ClO3S MolecularWeight: 300.80098

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1CCSC2=C(C=C(C(=C12)C)C(=O)O)Cl

Isomeric SMILES

CCCOC1CCSC2=C(C=C(C(=C12)C)C(=O)O)Cl

InChI

InChI=1S/C14H17ClO3S/c1-3-5-18-11-4-6-19-13-10(15)7-9(14(16)17)8(2)12(11)13/h7,11H,3-6H2,1-2H3,(H,16,17)