2-[(6E)-6-[azanyl(methyl)azaniumylidene]-3-methoxy-8a,9-dihydroxanthen-9-yl]benzoate

Systemtic Name: 2-[(6E)-6-[azanyl(methyl)azaniumylidene]-3-methoxy-8a,9-dihydroxanthen-9-yl]benzoate Openeye Name: 2-[(6E)-6-[amino(methyl)iminio]-3-methoxy-8a,9-dihydroxanthen-9-yl]benzoate CAS Name: 2-[(6E)-6-[amino(methyl)iminio]-3-methoxy-8a,9-dihydroxanthen-9-yl]benzoate IUPAC Name: 2-[(6E)-6-[amino(methyl)azaniumylidene]-3-methoxy-8a,9-dihydroxanthen-9-yl]benzoate Traditional Name: 2-[(6E)-6-[amino(methyl)iminio]-3-methoxy-8a,9-dihydroxanthen-9-yl]benzoate Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C1C=CC2C(C3=C(C=C(C=C3)OC)OC2=C1)C4=CC=CC=C4C(=O)[O-])N

Isomeric SMILES

C/[N+](=C\1/C=CC2C(C3=C(C=C(C=C3)OC)OC2=C1)C4=CC=CC=C4C(=O)[O-])/N

InChI

InChI=1S/C22H20N2O4/c1-24(23)13-7-9-17-19(11-13)28-20-12-14(27-2)8-10-18(20)21(17)15-5-3-4-6-16(15)22(25)26/h3-12,17,21H,23H2,1-2H3/b24-13+