oxidanylidenetechnetium; 6-(phenylazanylmethylidene)cyclohexa-2,4-dien-1-one; hydrochloride

Systemtic Name: oxidanylidenetechnetium; 6-(phenylazanylmethylidene)cyclohexa-2,4-dien-1-one; hydrochloride Openeye Name: 6-(anilinomethylene)cyclohexa-2,4-dien-1-one; oxotechnetium; hydrochloride CAS Name: 6-(anilinomethylidene)-1-cyclohexa-2,4-dienone; oxotechnetium; hydrochloride IUPAC Name: 6-(anilinomethylidene)cyclohexa-2,4-dien-1-one; oxotechnetium; hydrochloride Traditional Name: 6-(anilinomethylene)cyclohexa-2,4-dien-1-one; ketotechnetium; hydrochloride Formula: C26H23ClN2O3Tc MolecularWeight: 544.832636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC=C2C=CC=CC2=O.C1=CC=C(C=C1)NC=C2C=CC=CC2=O.O=[Tc].Cl

Isomeric SMILES

C1=CC=C(C=C1)NC=C2C=CC=CC2=O.C1=CC=C(C=C1)NC=C2C=CC=CC2=O.O=[Tc].Cl

InChI

InChI=1S/2C13H11NO.ClH.O.Tc/c2*15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12;;;/h2*1-10,14H;1H;;