diethyl-[[4-oxidanyl-7-oxidanylidene-3-(4-phenylphenoxy)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]azanium

Systemtic Name: diethyl-[[4-oxidanyl-7-oxidanylidene-3-(4-phenylphenoxy)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]azanium Openeye Name: diethyl-[[4-hydroxy-7-oxo-3-(4-phenylphenoxy)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]ammonium CAS Name: diethyl-[[4-hydroxy-7-oxo-3-(4-phenylphenoxy)-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl]ammonium IUPAC Name: diethyl-[[4-hydroxy-7-oxo-3-(4-phenylphenoxy)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]azanium Traditional Name: diethyl-[[4-hydroxy-7-keto-3-(4-phenylphenoxy)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]ammonium Formula: C26H30NO4+ MolecularWeight: 420.5207

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1C2C(=C(C(=CO2)OC3=CC=C(C=C3)C4=CC=CC=C4)O)CCC1=O

Isomeric SMILES

CC[NH+](CC)CC1C2C(=C(C(=CO2)OC3=CC=C(C=C3)C4=CC=CC=C4)O)CCC1=O

InChI

InChI=1S/C26H29NO4/c1-3-27(4-2)16-22-23(28)15-14-21-25(29)24(17-30-26(21)22)31-20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-13,17,22,26,29H,3-4,14-16H2,1-2H3/p+1