O4-tert-butyl O1-[[4-(4-oxidanylidene-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl] butanedioate

Systemtic Name: O4-tert-butyl O1-[[4-(4-oxidanylidene-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl] butanedioate Openeye Name: O4-tert-butyl O1-[[4-(4-oxo-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl] butanedioate CAS Name: butanedioic acid O4-tert-butyl ester O1-[[4-(4-oxo-8-phenyl-1-benzopyran-2-yl)-4-morpholin-4-iumyl]methyl] ester IUPAC Name: 4-O-tert-butyl 1-O-[[4-(4-oxo-8-phenylchromen-2-yl)morpholin-4-ium-4-yl]methyl] butanedioate Traditional Name: succinic acid O4-tert-butyl ester O1-[[4-(4-keto-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl] ester Formula: C28H32NO7+ MolecularWeight: 494.55618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(=O)OC[N+]1(CCOCC1)C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CCC(=O)OC[N+]1(CCOCC1)C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H32NO7/c1-28(2,3)36-26(32)13-12-25(31)34-19-29(14-16-33-17-15-29)24-18-23(30)22-11-7-10-21(27(22)35-24)20-8-5-4-6-9-20/h4-11,18H,12-17,19H2,1-3H3/q+1