4-chloranyl-4-methyl-2-(2-oxidanylidenechromen-7-yl)cyclohexa-2,5-diene-1-sulfonate

Systemtic Name: 4-chloranyl-4-methyl-2-(2-oxidanylidenechromen-7-yl)cyclohexa-2,5-diene-1-sulfonate Openeye Name: 4-chloro-4-methyl-2-(2-oxochromen-7-yl)cyclohexa-2,5-diene-1-sulfonate CAS Name: 4-chloro-4-methyl-2-(2-oxo-1-benzopyran-7-yl)-1-cyclohexa-2,5-dienesulfonate IUPAC Name: 4-chloro-4-methyl-2-(2-oxochromen-7-yl)cyclohexa-2,5-diene-1-sulfonate Traditional Name: 4-chloro-2-(2-ketochromen-7-yl)-4-methyl-cyclohexa-2,5-diene-1-sulfonate Formula: C16H12ClO5S- MolecularWeight: 351.78148

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(C(=C1)C2=CC3=C(C=C2)C=CC(=O)O3)S(=O)(=O)[O-])Cl

Isomeric SMILES

CC1(C=CC(C(=C1)C2=CC3=C(C=C2)C=CC(=O)O3)S(=O)(=O)[O-])Cl

InChI

InChI=1S/C16H13ClO5S/c1-16(17)7-6-14(23(19,20)21)12(9-16)11-3-2-10-4-5-15(18)22-13(10)8-11/h2-9,14H,1H3,(H,19,20,21)/p-1