7-azanyl-8-[2,4-bis(oxidanyl)phenyl]-2-(4-hydroxyphenyl)phenoxazin-10-ium-3-one

Systemtic Name: 7-azanyl-8-[2,4-bis(oxidanyl)phenyl]-2-(4-hydroxyphenyl)phenoxazin-10-ium-3-one Openeye Name: 7-amino-8-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)phenoxazin-10-ium-3-one CAS Name: 7-amino-8-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-3-phenoxazin-10-iumone IUPAC Name: 7-amino-8-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)phenoxazin-10-ium-3-one Traditional Name: 7-amino-8-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)phenoxazin-10-ium-3-one Formula: C24H17N2O5+ MolecularWeight: 413.40218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC3=[NH+]C4=C(C=C(C(=C4)C5=C(C=C(C=C5)O)O)N)OC3=CC2=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC3=[NH+]C4=C(C=C(C(=C4)C5=C(C=C(C=C5)O)O)N)OC3=CC2=O)O

InChI

InChI=1S/C24H16N2O5/c25-18-10-23-20(9-17(18)15-6-5-14(28)7-21(15)29)26-19-8-16(22(30)11-24(19)31-23)12-1-3-13(27)4-2-12/h1-11,27-29H,25H2/p+1