disodium; 4-oxidanylidene-3-(3-oxidanylidene-1-phenyl-butyl)chromen-2-olate; propan-2-ol

Systemtic Name: disodium; 4-oxidanylidene-3-(3-oxidanylidene-1-phenyl-butyl)chromen-2-olate; propan-2-ol Openeye Name: disodium; 4-oxo-3-(3-oxo-1-phenyl-butyl)chromen-2-olate; propan-2-ol CAS Name: disodium; 4-oxo-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-olate; 2-propanol IUPAC Name: disodium; 4-oxo-3-(3-oxo-1-phenylbutyl)chromen-2-olate; propan-2-ol Traditional Name: disodium; 4-keto-3-(3-keto-1-phenyl-butyl)chromen-2-olate; propan-2-ol Formula: C22H23Na2O5+ MolecularWeight: 413.39456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)O.CC(=O)CC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)O.CC(=O)CC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C19H16O4.C3H8O.2Na/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;1-3(2)4;;/h2-10,15,22H,11H2,1H3;3-4H,1-2H3;;/q;;2*+1/p-1