(E)-4-azanyl-4-oxidanylidene-but-2-enoic acid; triphenyl phosphate

Systemtic Name: (E)-4-azanyl-4-oxidanylidene-but-2-enoic acid; triphenyl phosphate Openeye Name: (E)-4-amino-4-oxo-but-2-enoic acid; triphenyl phosphate CAS Name: (E)-4-amino-4-oxo-2-butenoic acid; phosphoric acid triphenyl ester IUPAC Name: (E)-4-amino-4-oxobut-2-enoic acid; triphenyl phosphate Traditional Name: (E)-4-amino-4-keto-but-2-enoic acid; phosphoric acid triphenyl ester Formula: C30H30N3O13P MolecularWeight: 671.545261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3.C(=CC(=O)O)C(=O)N.C(=CC(=O)O)C(=O)N.C(=CC(=O)O)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)N.C(=C/C(=O)O)\C(=O)N.C(=C/C(=O)O)\C(=O)N

InChI

InChI=1S/C18H15O4P.3C4H5NO3/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18;3*5-3(6)1-2-4(7)8/h1-15H;3*1-2H,(H2,5,6)(H,7,8)/b;3*2-1+