[6-azanyl-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium; iodine-125(1-)

Systemtic Name: [6-azanyl-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium; iodine-125(1-) Openeye Name: [6-amino-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]ammonium; iodine-125(1-) CAS Name: [6-amino-9-(2-methoxycarbonylphenyl)-3-xanthenylidene]ammonium; iodine-125(1-) IUPAC Name: [6-amino-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium; iodine-125(1-) Traditional Name: [6-amino-9-(2-carbomethoxyphenyl)xanthen-3-ylidene]ammonium; iodine-125(1-) Formula: C21H17IN2O3 MolecularWeight: 470.275904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=C3C=CC(=[NH2+])C=C3OC4=C2C=CC(=C4)N.[I-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=C3C=CC(=[NH2+])C=C3OC4=C2C=CC(=C4)N.[125I-]

InChI

InChI=1S/C21H16N2O3.HI/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20;/h2-11,22H,23H2,1H3;1H/i;1-2