6,8-bis[[bis(2-methylpropyl)azaniumyl]methyl]-4-oxidanylidene-2-phenyl-chromene-5,7-diolate

Systemtic Name: 6,8-bis[[bis(2-methylpropyl)azaniumyl]methyl]-4-oxidanylidene-2-phenyl-chromene-5,7-diolate Openeye Name: 6,8-bis[(diisobutylammonio)methyl]-4-oxo-2-phenyl-chromene-5,7-diolate CAS Name: 6,8-bis[[bis(2-methylpropyl)ammonio]methyl]-4-oxo-2-phenyl-1-benzopyran-5,7-diolate IUPAC Name: 6,8-bis[[bis(2-methylpropyl)azaniumyl]methyl]-4-oxo-2-phenylchromene-5,7-diolate Traditional Name: 6,8-bis[(diisobutylammonio)methyl]-4-keto-2-phenyl-chromene-5,7-diolate Formula: C33H48N2O4 MolecularWeight: 536.74522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC1=C(C(=C2C(=C1[O-])C(=O)C=C(O2)C3=CC=CC=C3)C[NH+](CC(C)C)CC(C)C)[O-])CC(C)C

Isomeric SMILES

CC(C)C[NH+](CC1=C(C(=C2C(=C1[O-])C(=O)C=C(O2)C3=CC=CC=C3)C[NH+](CC(C)C)CC(C)C)[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