2-[3,6-bis(dimethylamino)-3H-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[3,6-bis(dimethylamino)-3H-xanthen-9-yl]benzoic acid Openeye Name: 2-[3,6-bis(dimethylamino)-3H-xanthen-9-yl]benzoic acid CAS Name: 2-[3,6-bis(dimethylamino)-3H-xanthen-9-yl]benzoic acid IUPAC Name: 2-[3,6-bis(dimethylamino)-3H-xanthen-9-yl]benzoic acid Traditional Name: 2-[3,6-bis(dimethylamino)-3H-xanthen-9-yl]benzoic acid Formula: C24H24N2O3 MolecularWeight: 388.45896

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C=CC2=C(C3=C(C=C(C=C3)N(C)C)OC2=C1)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CN(C)C1C=CC2=C(C3=C(C=C(C=C3)N(C)C)OC2=C1)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C24H24N2O3/c1-25(2)15-9-11-19-21(13-15)29-22-14-16(26(3)4)10-12-20(22)23(19)17-7-5-6-8-18(17)24(27)28/h5-15H,1-4H3,(H,27,28)