(E)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-6-[(triphenylmethyl)amino]hex-1-ene-1-sulfonate

Systemtic Name: (E)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-6-[(triphenylmethyl)amino]hex-1-ene-1-sulfonate Openeye Name: (E)-3-(tert-butoxycarbonylamino)-6-oxo-6-(tritylamino)hex-1-ene-1-sulfonate CAS Name: (E)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxo-6-[(triphenylmethyl)amino]-1-hexene-1-sulfonate IUPAC Name: (E)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(tritylamino)hex-1-ene-1-sulfonate Traditional Name: (E)-3-(tert-butoxycarbonylamino)-6-keto-6-(tritylamino)hex-1-ene-1-sulfonate Formula: C30H33N2O6S- MolecularWeight: 549.65782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C=CS(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/C=C/S(=O)(=O)[O-]

InChI

InChI=1S/C30H34N2O6S/c1-29(2,3)38-28(34)31-26(21-22-39(35,36)37)19-20-27(33)32-30(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,21-22,26H,19-20H2,1-3H3,(H,31,34)(H,32,33)(H,35,36,37)/p-1/b22-21+