2-[5-chloranyl-4-methyl-3-oxidanyl-6-oxidanylidene-2,7-bis(pyridin-2-ylmethylamino)xanthen-9-yl]benzoic acid

Systemtic Name: 2-[5-chloranyl-4-methyl-3-oxidanyl-6-oxidanylidene-2,7-bis(pyridin-2-ylmethylamino)xanthen-9-yl]benzoic acid Openeye Name: 2-[5-chloro-3-hydroxy-4-methyl-6-oxo-2,7-bis(2-pyridylmethylamino)xanthen-9-yl]benzoic acid CAS Name: 2-[5-chloro-3-hydroxy-4-methyl-6-oxo-2,7-bis(2-pyridinylmethylamino)-9-xanthenyl]benzoic acid IUPAC Name: 2-[5-chloro-3-hydroxy-4-methyl-6-oxo-2,7-bis(pyridin-2-ylmethylamino)xanthen-9-yl]benzoic acid Traditional Name: 2-[5-chloro-3-hydroxy-6-keto-4-methyl-2,7-bis(2-pyridylmethylamino)xanthen-9-yl]benzoic acid Formula: C33H25ClN4O5 MolecularWeight: 593.0284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1O)NCC3=CC=CC=N3)C(=C4C=C(C(=O)C(=C4O2)Cl)NCC5=CC=CC=N5)C6=CC=CC=C6C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1O)NCC3=CC=CC=N3)C(=C4C=C(C(=O)C(=C4O2)Cl)NCC5=CC=CC=N5)C6=CC=CC=C6C(=O)O

InChI

InChI=1S/C33H25ClN4O5/c1-18-29(39)25(37-16-19-8-4-6-12-35-19)14-23-27(21-10-2-3-11-22(21)33(41)42)24-15-26(38-17-20-9-5-7-13-36-20)30(40)28(34)32(24)43-31(18)23/h2-15,37-39H,16-17H2,1H3,(H,41,42)