2-[4,5-bis(azanyl)-8-chloranyl-6,7-diethyl-9H-xanthen-3-yl]benzoic acid

Systemtic Name: 2-[4,5-bis(azanyl)-8-chloranyl-6,7-diethyl-9H-xanthen-3-yl]benzoic acid Openeye Name: 2-(4,5-diamino-8-chloro-6,7-diethyl-9H-xanthen-3-yl)benzoic acid CAS Name: 2-(4,5-diamino-8-chloro-6,7-diethyl-9H-xanthen-3-yl)benzoic acid IUPAC Name: 2-(4,5-diamino-8-chloro-6,7-diethyl-9H-xanthen-3-yl)benzoic acid Traditional Name: 2-(4,5-diamino-8-chloro-6,7-diethyl-9H-xanthen-3-yl)benzoic acid Formula: C24H23ClN2O3 MolecularWeight: 422.90402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(CC3=C(O2)C(=C(C=C3)C4=CC=CC=C4C(=O)O)N)C(=C1CC)Cl)N

Isomeric SMILES

CCC1=C(C2=C(CC3=C(O2)C(=C(C=C3)C4=CC=CC=C4C(=O)O)N)C(=C1CC)Cl)N

InChI

InChI=1S/C24H23ClN2O3/c1-3-13-14(4-2)20(26)23-18(19(13)25)11-12-9-10-16(21(27)22(12)30-23)15-7-5-6-8-17(15)24(28)29/h5-10H,3-4,11,26-27H2,1-2H3,(H,28,29)