3-[[6-chloranyl-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxidanylidene-chromen-3-yl]oxymethyl]benzoic acid

Systemtic Name: 3-[[6-chloranyl-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxidanylidene-chromen-3-yl]oxymethyl]benzoic acid Openeye Name: 3-[[6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxo-chromen-3-yl]oxymethyl]benzoic acid CAS Name: 3-[[6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxo-1-benzopyran-3-yl]oxymethyl]benzoic acid IUPAC Name: 3-[[6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxymethyl]benzoic acid Traditional Name: 3-[[6-chloro-2-(3,4-dimethoxyphenyl)-4-keto-7-methyl-chromen-3-yl]oxymethyl]benzoic acid Formula: C26H21ClO7 MolecularWeight: 480.89374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC(=C(C2=O)OCC3=CC=CC(=C3)C(=O)O)C4=CC(=C(C=C4)OC)OC)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC(=C(C2=O)OCC3=CC=CC(=C3)C(=O)O)C4=CC(=C(C=C4)OC)OC)Cl

InChI

InChI=1S/C26H21ClO7/c1-14-9-21-18(12-19(14)27)23(28)25(33-13-15-5-4-6-17(10-15)26(29)30)24(34-21)16-7-8-20(31-2)22(11-16)32-3/h4-12H,13H2,1-3H3,(H,29,30)