1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-oxidanylidene-3-(6-oxidanyl-6-oxidanylidene-hexyl)quinoline-2-carboxylic acid

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-oxidanylidene-3-(6-oxidanyl-6-oxidanylidene-hexyl)quinoline-2-carboxylic acid Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(6-hydroxy-6-oxo-hexyl)-4-oxo-quinoline-2-carboxylic acid CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(6-hydroxy-6-oxohexyl)-4-oxo-2-quinolinecarboxylic acid IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(6-hydroxy-6-oxohexyl)-4-oxoquinoline-2-carboxylic acid Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(6-hydroxy-6-keto-hexyl)-4-keto-quinaldic acid Formula: C24H22ClNO7 MolecularWeight: 471.88698

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CN3C4=CC=CC=C4C(=O)C(=C3C(=O)O)CCCCCC(=O)O)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CN3C4=CC=CC=C4C(=O)C(=C3C(=O)O)CCCCCC(=O)O)Cl

InChI

InChI=1S/C24H22ClNO7/c25-17-11-20-19(32-13-33-20)10-14(17)12-26-18-8-5-4-6-15(18)23(29)16(22(26)24(30)31)7-2-1-3-9-21(27)28/h4-6,8,10-11H,1-3,7,9,12-13H2,(H,27,28)(H,30,31)