2-[4,9,12-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-1,4,9,12-tetrazacyclohexadec-1-yl]ethanoic acid

Systemtic Name: 2-[4,9,12-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-1,4,9,12-tetrazacyclohexadec-1-yl]ethanoic acid Openeye Name: 2-[4,9,12-tris(2-tert-butoxy-2-oxo-ethyl)-1,4,9,12-tetrazacyclohexadec-1-yl]acetic acid CAS Name: 2-[4,9,12-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,9,12-tetrazacyclohexadec-1-yl]acetic acid IUPAC Name: 2-[4,9,12-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,9,12-tetrazacyclohexadec-1-yl]acetic acid Traditional Name: 2-[4,9,12-tris(2-tert-butoxy-2-keto-ethyl)-1,4,9,12-tetrazacyclohexadec-1-yl]acetic acid Formula: C32H60N4O8 MolecularWeight: 628.8408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCCCN(CCN(CCCCN(CC1)CC(=O)O)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCCCN(CCN(CCCCN(CC1)CC(=O)O)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

InChI

InChI=1S/C32H60N4O8/c1-30(2,3)42-27(39)23-34-16-12-13-17-36(25-29(41)44-32(7,8)9)21-20-35(24-28(40)43-31(4,5)6)15-11-10-14-33(18-19-34)22-26(37)38/h10-25H2,1-9H3,(H,37,38)