(E)-4-oxidanylidene-4-[2-oxidanyl-1-(4-phenylbutylamino)propyl]peroxy-but-2-enoate; 2-phenylchromen-4-one

Systemtic Name: (E)-4-oxidanylidene-4-[2-oxidanyl-1-(4-phenylbutylamino)propyl]peroxy-but-2-enoate; 2-phenylchromen-4-one Openeye Name: (E)-4-[2-hydroxy-1-(4-phenylbutylamino)propyl]peroxy-4-oxo-but-2-enoate; 2-phenylchromen-4-one CAS Name: (E)-4-[2-hydroxy-1-(4-phenylbutylamino)propyl]dioxy-4-oxo-2-butenoate; 2-phenyl-1-benzopyran-4-one IUPAC Name: (E)-4-[2-hydroxy-1-(4-phenylbutylamino)propyl]peroxy-4-oxobut-2-enoate; 2-phenylchromen-4-one Traditional Name: flavone; (E)-4-[2-hydroxy-1-(4-phenylbutylamino)propyl]peroxy-4-keto-but-2-enoate Formula: C32H32NO8- MolecularWeight: 558.59838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(NCCCCC1=CC=CC=C1)OOC(=O)C=CC(=O)[O-])O.C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2

Isomeric SMILES

CC(C(NCCCCC1=CC=CC=C1)OOC(=O)/C=C/C(=O)[O-])O.C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C17H23NO6.C15H10O2/c1-13(19)17(24-23-16(22)11-10-15(20)21)18-12-6-5-9-14-7-3-2-4-8-14;16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h2-4,7-8,10-11,13,17-19H,5-6,9,12H2,1H3,(H,20,21);1-10H/p-1/b11-10+;