[6-azanyl-9-(2-carboxyphenyl)-2-iodanyl-xanthen-3-ylidene]azanium chloride

Systemtic Name: [6-azanyl-9-(2-carboxyphenyl)-2-iodanyl-xanthen-3-ylidene]azanium chloride Openeye Name: [6-amino-9-(2-carboxyphenyl)-2-iodanyl-xanthen-3-ylidene]ammonium chloride CAS Name: [6-amino-9-(2-carboxyphenyl)-2-iodanyl-3-xanthenylidene]ammonium chloride IUPAC Name: [6-amino-9-(2-carboxyphenyl)-2-iodanylxanthen-3-ylidene]azanium chloride Traditional Name: [6-amino-9-(2-carboxyphenyl)-2-iodanyl-xanthen-3-ylidene]ammonium chloride Formula: C20H14ClIN2O3 MolecularWeight: 490.694384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=C(C(=[NH2+])C=C3OC4=C2C=CC(=C4)N)I)C(=O)O.[Cl-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=C(C(=[NH2+])C=C3OC4=C2C=CC(=C4)N)[125I])C(=O)O.[Cl-]

InChI

InChI=1S/C20H13IN2O3.ClH/c21-15-8-14-18(9-16(15)23)26-17-7-10(22)5-6-13(17)19(14)11-3-1-2-4-12(11)20(24)25;/h1-9,23H,22H2,(H,24,25);1H/i21-2;