sodium 2-[[2-chloranyl-5-(dodecylperoxymethyl)phenyl]carbamoyl]-4-ethyl-3-oxidanylidene-quinoxalin-6-olate

Systemtic Name: sodium 2-[[2-chloranyl-5-(dodecylperoxymethyl)phenyl]carbamoyl]-4-ethyl-3-oxidanylidene-quinoxalin-6-olate Openeye Name: sodium 2-[[2-chloro-5-(dodecylperoxymethyl)phenyl]carbamoyl]-4-ethyl-3-oxo-quinoxalin-6-olate CAS Name: sodium 2-[[2-chloro-5-(dodecyldioxymethyl)anilino]-oxomethyl]-4-ethyl-3-oxo-6-quinoxalinolate IUPAC Name: sodium 2-[[2-chloro-5-(dodecylperoxymethyl)phenyl]carbamoyl]-4-ethyl-3-oxoquinoxalin-6-olate Traditional Name: sodium 2-[[2-chloro-5-(laurylperoxymethyl)phenyl]carbamoyl]-4-ethyl-3-keto-quinoxalin-6-olate Formula: C30H39ClN3NaO5 MolecularWeight: 580.09053

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOOCC1=CC(=C(C=C1)Cl)NC(=O)C2=NC3=C(C=C(C=C3)[O-])N(C2=O)CC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCOOCC1=CC(=C(C=C1)Cl)NC(=O)C2=NC3=C(C=C(C=C3)[O-])N(C2=O)CC.[Na+]

InChI

InChI=1S/C30H40ClN3O5.Na/c1-3-5-6-7-8-9-10-11-12-13-18-38-39-21-22-14-16-24(31)26(19-22)33-29(36)28-30(37)34(4-2)27-20-23(35)15-17-25(27)32-28;/h14-17,19-20,35H,3-13,18,21H2,1-2H3,(H,33,36);/q;+1/p-1