2-[6-[bis(pyridin-2-ylmethyl)amino]-2-chloranyl-3-oxidanylidene-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[6-[bis(pyridin-2-ylmethyl)amino]-2-chloranyl-3-oxidanylidene-xanthen-9-yl]benzoic acid Openeye Name: 2-[6-[bis(2-pyridylmethyl)amino]-2-chloro-3-oxo-xanthen-9-yl]benzoic acid CAS Name: 2-[6-[bis(2-pyridinylmethyl)amino]-2-chloro-3-oxo-9-xanthenyl]benzoic acid IUPAC Name: 2-[6-[bis(pyridin-2-ylmethyl)amino]-2-chloro-3-oxoxanthen-9-yl]benzoic acid Traditional Name: 2-[6-[bis(2-pyridylmethyl)amino]-2-chloro-3-keto-xanthen-9-yl]benzoic acid Formula: C32H22ClN3O4 MolecularWeight: 547.98778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=C2C=CC(=C4)N(CC5=CC=CC=N5)CC6=CC=CC=N6)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=C2C=CC(=C4)N(CC5=CC=CC=N5)CC6=CC=CC=N6)Cl)C(=O)O

InChI

InChI=1S/C32H22ClN3O4/c33-27-16-26-30(17-28(27)37)40-29-15-22(11-12-25(29)31(26)23-9-1-2-10-24(23)32(38)39)36(18-20-7-3-5-13-34-20)19-21-8-4-6-14-35-21/h1-17H,18-19H2,(H,38,39)