ditert-butyl 2-(nitromethyl)-3-(triphenyl-$l^{5}-phosphanylidene)butanedioate

Systemtic Name: ditert-butyl 2-(nitromethyl)-3-(triphenyl-$l^{5}-phosphanylidene)butanedioate Openeye Name: ditert-butyl 2-(nitromethyl)-3-(triphenyl-$l^{5}-phosphanylidene)butanedioate CAS Name: 2-(nitromethyl)-3-triphenylphosphoranylidenebutanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(nitromethyl)-3-(triphenyl-$l^{5}-phosphanylidene)butanedioate Traditional Name: 2-(nitromethyl)-3-triphenylphosphoranylidene-succinic acid ditert-butyl ester Formula: C31H36NO6P MolecularWeight: 549.594401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C[N+](=O)[O-])C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(C[N+](=O)[O-])C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H36NO6P/c1-30(2,3)37-28(33)26(22-32(35)36)27(29(34)38-31(4,5)6)39(23-16-10-7-11-17-23,24-18-12-8-13-19-24)25-20-14-9-15-21-25/h7-21,26H,22H2,1-6H3