[4-(4-oxidanylidene-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl 4-thionitrosobenzoate

Systemtic Name: [4-(4-oxidanylidene-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl 4-thionitrosobenzoate Openeye Name: [4-(4-oxo-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl 4-thionitrosobenzoate CAS Name: 4-thionitrosobenzoic acid [4-(4-oxo-8-phenyl-1-benzopyran-2-yl)-4-morpholin-4-iumyl]methyl ester IUPAC Name: [4-(4-oxo-8-phenylchromen-2-yl)morpholin-4-ium-4-yl]methyl 4-thionitrosobenzoate Traditional Name: 4-thionitrosobenzoic acid [4-(4-keto-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl ester Formula: C27H23N2O5S+ MolecularWeight: 487.54692

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1(COC(=O)C2=CC=C(C=C2)N=S)C3=CC(=O)C4=C(O3)C(=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1COCC[N+]1(COC(=O)C2=CC=C(C=C2)N=S)C3=CC(=O)C4=C(O3)C(=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H23N2O5S/c30-24-17-25(34-26-22(7-4-8-23(24)26)19-5-2-1-3-6-19)29(13-15-32-16-14-29)18-33-27(31)20-9-11-21(28-35)12-10-20/h1-12,17H,13-16,18H2/q+1