sodium (E)-(1,5-didodecyl-2-oxidanylidene-1,4-benzodiazepin-3-ylidene)methanolate

Systemtic Name: sodium (E)-(1,5-didodecyl-2-oxidanylidene-1,4-benzodiazepin-3-ylidene)methanolate Openeye Name: sodium (E)-(1,5-didodecyl-2-oxo-1,4-benzodiazepin-3-ylidene)methanolate CAS Name: sodium (E)-(1,5-didodecyl-2-oxo-1,4-benzodiazepin-3-ylidene)methanolate IUPAC Name: sodium (E)-(1,5-didodecyl-2-oxo-1,4-benzodiazepin-3-ylidene)methanolate Traditional Name: sodium (E)-(2-keto-1,5-dilauryl-1,4-benzodiazepin-3-ylidene)methanolate Formula: C34H55N2NaO2 MolecularWeight: 546.80247

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=NC(=C[O-])C(=O)N(C2=CC=CC=C21)CCCCCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCC1=N/C(=C/[O-])/C(=O)N(C2=CC=CC=C21)CCCCCCCCCCCC.[Na+]

InChI

InChI=1S/C34H56N2O2.Na/c1-3-5-7-9-11-13-15-17-19-21-26-31-30-25-22-23-27-33(30)36(34(38)32(29-37)35-31)28-24-20-18-16-14-12-10-8-6-4-2;/h22-23,25,27,29,37H,3-21,24,26,28H2,1-2H3;/q;+1/p-1/b32-29+;