4-[[(Z)-[(2R)-2-butoxy-6-chloranyl-4-oxidanylidene-chromen-3-ylidene]methyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[(Z)-[(2R)-2-butoxy-6-chloranyl-4-oxidanylidene-chromen-3-ylidene]methyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 4-[[(Z)-[(2R)-2-butoxy-6-chloro-4-oxo-chroman-3-ylidene]methyl]amino]-2-hydroxy-benzoic acid CAS Name: 4-[[(Z)-[(2R)-2-butoxy-6-chloro-4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene]methyl]amino]-2-hydroxybenzoic acid IUPAC Name: 4-[[(Z)-[(2R)-2-butoxy-6-chloro-4-oxochromen-3-ylidene]methyl]amino]-2-hydroxybenzoic acid Traditional Name: 4-[[(Z)-[(2R)-2-butoxy-6-chloro-4-keto-chroman-3-ylidene]methyl]amino]-2-hydroxy-benzoic acid Formula: C21H20ClNO6 MolecularWeight: 417.8396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1C(=CNC2=CC(=C(C=C2)C(=O)O)O)C(=O)C3=C(O1)C=CC(=C3)Cl

Isomeric SMILES

CCCCO[C@H]1/C(=C/NC2=CC(=C(C=C2)C(=O)O)O)/C(=O)C3=C(O1)C=CC(=C3)Cl

InChI

InChI=1S/C21H20ClNO6/c1-2-3-8-28-21-16(19(25)15-9-12(22)4-7-18(15)29-21)11-23-13-5-6-14(20(26)27)17(24)10-13/h4-7,9-11,21,23-24H,2-3,8H2,1H3,(H,26,27)/b16-11+/t21-/m1/s1