sodium (E)-[7-dodecoxy-5-(4-dodecoxyphenyl)-2-oxidanylidene-4H-1,4-benzodiazepin-3-ylidene]methanolate

Systemtic Name: sodium (E)-[7-dodecoxy-5-(4-dodecoxyphenyl)-2-oxidanylidene-4H-1,4-benzodiazepin-3-ylidene]methanolate Openeye Name: sodium (E)-[7-dodecoxy-5-(4-dodecoxyphenyl)-2-oxo-4H-1,4-benzodiazepin-3-ylidene]methanolate CAS Name: sodium (E)-[7-dodecoxy-5-(4-dodecoxyphenyl)-2-oxo-4H-1,4-benzodiazepin-3-ylidene]methanolate IUPAC Name: sodium (E)-[7-dodecoxy-5-(4-dodecoxyphenyl)-2-oxo-4H-1,4-benzodiazepin-3-ylidene]methanolate Traditional Name: sodium (E)-[2-keto-7-lauryloxy-5-(4-lauryloxyphenyl)-4H-1,4-benzodiazepin-3-ylidene]methanolate Formula: C40H59N2NaO4 MolecularWeight: 654.89723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=O)C(=C[O-])N2)OCCCCCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=O)/C(=C\[O-])/N2)OCCCCCCCCCCCC.[Na+]

InChI

InChI=1S/C40H60N2O4.Na/c1-3-5-7-9-11-13-15-17-19-21-29-45-34-25-23-33(24-26-34)39-36-31-35(27-28-37(36)42-40(44)38(32-43)41-39)46-30-22-20-18-16-14-12-10-8-6-4-2;/h23-28,31-32,41,43H,3-22,29-30H2,1-2H3;/q;+1/p-1/b38-32+;