(E)-azanyl-[9-(2-carboxyphenyl)-6-methoxy-9,9a-dihydroxanthen-3-ylidene]-methyl-azanium

Systemtic Name: (E)-azanyl-[9-(2-carboxyphenyl)-6-methoxy-9,9a-dihydroxanthen-3-ylidene]-methyl-azanium Openeye Name: (E)-amino-[9-(2-carboxyphenyl)-6-methoxy-9,9a-dihydroxanthen-3-ylidene]-methyl-ammonium CAS Name: (E)-amino-[9-(2-carboxyphenyl)-6-methoxy-9,9a-dihydroxanthen-3-ylidene]-methylammonium IUPAC Name: (E)-amino-[9-(2-carboxyphenyl)-6-methoxy-9,9a-dihydroxanthen-3-ylidene]-methylazanium Traditional Name: (E)-amino-[9-(2-carboxyphenyl)-6-methoxy-9,9a-dihydroxanthen-3-ylidene]-methyl-ammonium Formula: C22H21N2O4+ MolecularWeight: 377.41314

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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/p+1/b24-13+