4-chloranyl-3-(6-chloranyl-2-oxidanylidene-4-phenyl-chromen-7-yl)oxysulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-3-(6-chloranyl-2-oxidanylidene-4-phenyl-chromen-7-yl)oxysulfonyl-benzoic acid Openeye Name: 4-chloro-3-(6-chloro-2-oxo-4-phenyl-chromen-7-yl)oxysulfonyl-benzoic acid CAS Name: 4-chloro-3-[(6-chloro-2-oxo-4-phenyl-1-benzopyran-7-yl)oxysulfonyl]benzoic acid IUPAC Name: 4-chloro-3-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxysulfonylbenzoic acid Traditional Name: 4-chloro-3-(6-chloro-2-keto-4-phenyl-chromen-7-yl)oxysulfonyl-benzoic acid Formula: C22H12Cl2O7S MolecularWeight: 491.29748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)OC3=CC(=C(C=C23)Cl)OS(=O)(=O)C4=C(C=CC(=C4)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)OC3=CC(=C(C=C23)Cl)OS(=O)(=O)C4=C(C=CC(=C4)C(=O)O)Cl

InChI

InChI=1S/C22H12Cl2O7S/c23-16-7-6-13(22(26)27)8-20(16)32(28,29)31-19-11-18-15(9-17(19)24)14(10-21(25)30-18)12-4-2-1-3-5-12/h1-11H,(H,26,27)