6,8-bis[[bis(2-methylpropyl)azaniumyl]methyl]-5-oxidanyl-4-oxidanylidene-2-phenyl-chromen-7-olate

Systemtic Name: 6,8-bis[[bis(2-methylpropyl)azaniumyl]methyl]-5-oxidanyl-4-oxidanylidene-2-phenyl-chromen-7-olate Openeye Name: 6,8-bis[(diisobutylammonio)methyl]-5-hydroxy-4-oxo-2-phenyl-chromen-7-olate CAS Name: 6,8-bis[[bis(2-methylpropyl)ammonio]methyl]-5-hydroxy-4-oxo-2-phenyl-1-benzopyran-7-olate IUPAC Name: 6,8-bis[[bis(2-methylpropyl)azaniumyl]methyl]-5-hydroxy-4-oxo-2-phenylchromen-7-olate Traditional Name: 6,8-bis[(diisobutylammonio)methyl]-5-hydroxy-4-keto-2-phenyl-chromen-7-olate Formula: C33H49N2O4+ MolecularWeight: 537.75316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC1=C(C2=C(C(=C1[O-])C[NH+](CC(C)C)CC(C)C)OC(=CC2=O)C3=CC=CC=C3)O)CC(C)C

Isomeric SMILES

CC(C)C[NH+](CC1=C(C2=C(C(=C1[O-])C[NH+](CC(C)C)CC(C)C)OC(=CC2=O)C3=CC=CC=C3)O)CC(C)C

InChI

InChI=1S/C33H48N2O4/c1-21(2)15-34(16-22(3)4)19-26-31(37)27(20-35(17-23(5)6)18-24(7)8)33-30(32(26)38)28(36)14-29(39-33)25-12-10-9-11-13-25/h9-14,21-24,37-38H,15-20H2,1-8H3/p+1