6-[[2-[bis[2-[(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]amino]ethylamino]methylidene]-4-chloranyl-cyclohexa-2,4-dien-1-one; gadolinium

Systemtic Name: 6-[[2-[bis[2-[(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]amino]ethylamino]methylidene]-4-chloranyl-cyclohexa-2,4-dien-1-one; gadolinium Openeye Name: 6-[[2-[bis[2-[(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]amino]ethylamino]methylene]-4-chloro-cyclohexa-2,4-dien-1-one; gadolinium CAS Name: 6-[[2-[bis[2-[(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]ethyl]amino]ethylamino]methylidene]-4-chloro-1-cyclohexa-2,4-dienone; gadolinium IUPAC Name: 6-[[2-[bis[2-[(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]amino]ethylamino]methylidene]-4-chlorocyclohexa-2,4-dien-1-one; gadolinium Traditional Name: 6-[[2-[bis[2-[(3-chloro-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]amino]ethylamino]methylene]-4-chloro-cyclohexa-2,4-dien-1-one; gadolinium Formula: C27H27Cl3GdN4O3 MolecularWeight: 719.13728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CNCCN(CCNC=C2C=C(C=CC2=O)Cl)CCNC=C3C=C(C=CC3=O)Cl)C=C1Cl.[Gd]

Isomeric SMILES

C1=CC(=O)C(=CNCCN(CCNC=C2C=C(C=CC2=O)Cl)CCNC=C3C=C(C=CC3=O)Cl)C=C1Cl.[Gd]

InChI

InChI=1S/C27H27Cl3N4O3.Gd/c28-22-1-4-25(35)19(13-22)16-31-7-10-34(11-8-32-17-20-14-23(29)2-5-26(20)36)12-9-33-18-21-15-24(30)3-6-27(21)37;/h1-6,13-18,31-33H,7-12H2;