(E)-4-oxidanylidene-4-[2-oxidanyl-3-(8-phenyloctylamino)propyl]peroxy-but-2-enoate; 2-phenylchromen-4-one

Systemtic Name: (E)-4-oxidanylidene-4-[2-oxidanyl-3-(8-phenyloctylamino)propyl]peroxy-but-2-enoate; 2-phenylchromen-4-one Openeye Name: (E)-4-[2-hydroxy-3-(8-phenyloctylamino)propyl]peroxy-4-oxo-but-2-enoate; 2-phenylchromen-4-one CAS Name: (E)-4-[2-hydroxy-3-(8-phenyloctylamino)propyl]dioxy-4-oxo-2-butenoate; 2-phenyl-1-benzopyran-4-one IUPAC Name: (E)-4-[2-hydroxy-3-(8-phenyloctylamino)propyl]peroxy-4-oxobut-2-enoate; 2-phenylchromen-4-one Traditional Name: flavone; (E)-4-[2-hydroxy-3-(8-phenyloctylamino)propyl]peroxy-4-keto-but-2-enoate Formula: C36H40NO8- MolecularWeight: 614.7047

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCNCC(COOC(=O)C=CC(=O)[O-])O.C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCNCC(COOC(=O)/C=C/C(=O)[O-])O.C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C21H31NO6.C15H10O2/c23-19(17-27-28-21(26)14-13-20(24)25)16-22-15-9-4-2-1-3-6-10-18-11-7-5-8-12-18;16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h5,7-8,11-14,19,22-23H,1-4,6,9-10,15-17H2,(H,24,25);1-10H/p-1/b14-13+;