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6-(4-methylphenyl)-1,1-bis(oxidanylidene)-2H-thiochromene-3-carboxylic acid

6-(4-methylphenyl)-1,1-bis(oxidanylidene)-2H-thiochromene-3-carboxylic acid

Systemtic Name:6-(4-methylphenyl)-1,1-bis(oxidanylidene)-2H-thiochromene-3-carboxylic acid
Openeye Name:1,1-dioxo-6-(p-tolyl)-2H-thiochromene-3-carboxylic acid
CAS Name:6-(4-methylphenyl)-1,1-dioxo-2H-1-benzothiopyran-3-carboxylic acid
IUPAC Name:6-(4-methylphenyl)-1,1-dioxo-2H-thiochromene-3-carboxylic acid
Traditional Name:1,1-diketo-6-(p-tolyl)-2H-thiochromene-3-carboxylic acid
Formula: C17H14O4S
MolecularWeight: 314.35566
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)CC(=C3)C(=O)O


Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)CC(=C3)C(=O)O


InChI

InChI=1S/C17H14O4S/c1-11-2-4-12(5-3-11)13-6-7-16-14(8-13)9-15(17(18)19)10-22(16,20)21/h2-9H,10H2,1H3,(H,18,19)


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