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Name: DOTA aniline

IUPAC: aniline;2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

SMILES: Nc1ccccc1.O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

Canonical SMILES: C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O.C1=CC=C(C=C1)N

Summenformel: C22H35N5O8

Molare Masse: 497.50

InChIKey: SXQXZGQDKGONDV-UHFFFAOYSA-N

InChI: InChI=1S/C16H28N4O8.C6H7N/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26;7-6-4-2-1-3-5-6/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28);1-5H,7H2

PubChem CID: 131719895 →

Synonyme

DOTA anilineSXQXZGQDKGONDV-UHFFFAOYSA-N

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