4-[[(E)-(6-chloranyl-2-hexoxy-4-oxidanylidene-chromen-3-ylidene)methyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[(E)-(6-chloranyl-2-hexoxy-4-oxidanylidene-chromen-3-ylidene)methyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 4-[[(E)-(6-chloro-2-hexoxy-4-oxo-chroman-3-ylidene)methyl]amino]-2-hydroxy-benzoic acid CAS Name: 4-[[(E)-(6-chloro-2-hexoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)methyl]amino]-2-hydroxybenzoic acid IUPAC Name: 4-[[(E)-(6-chloro-2-hexoxy-4-oxochromen-3-ylidene)methyl]amino]-2-hydroxybenzoic acid Traditional Name: 4-[[(E)-(6-chloro-2-hexoxy-4-keto-chroman-3-ylidene)methyl]amino]-2-hydroxy-benzoic acid Formula: C23H24ClNO6 MolecularWeight: 445.89276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1C(=CNC2=CC(=C(C=C2)C(=O)O)O)C(=O)C3=C(O1)C=CC(=C3)Cl

Isomeric SMILES

CCCCCCOC1/C(=C\NC2=CC(=C(C=C2)C(=O)O)O)/C(=O)C3=C(O1)C=CC(=C3)Cl

InChI

InChI=1S/C23H24ClNO6/c1-2-3-4-5-10-30-23-18(21(27)17-11-14(24)6-9-20(17)31-23)13-25-15-7-8-16(22(28)29)19(26)12-15/h6-9,11-13,23,25-26H,2-5,10H2,1H3,(H,28,29)/b18-13-