2-[3,6-bis(dimethylamino)-9-phenylazanyl-9H-xanthen-1-yl]benzoic acid

Systemtic Name: 2-[3,6-bis(dimethylamino)-9-phenylazanyl-9H-xanthen-1-yl]benzoic acid Openeye Name: 2-[9-anilino-3,6-bis(dimethylamino)-9H-xanthen-1-yl]benzoic acid CAS Name: 2-[9-anilino-3,6-bis(dimethylamino)-9H-xanthen-1-yl]benzoic acid IUPAC Name: 2-[9-anilino-3,6-bis(dimethylamino)-9H-xanthen-1-yl]benzoic acid Traditional Name: 2-[9-anilino-3,6-bis(dimethylamino)-9H-xanthen-1-yl]benzoic acid Formula: C30H29N3O3 MolecularWeight: 479.56956

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3C4=CC=CC=C4C(=O)O)N(C)C)NC5=CC=CC=C5

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3C4=CC=CC=C4C(=O)O)N(C)C)NC5=CC=CC=C5

InChI

InChI=1S/C30H29N3O3/c1-32(2)20-14-15-24-26(17-20)36-27-18-21(33(3)4)16-25(22-12-8-9-13-23(22)30(34)35)28(27)29(24)31-19-10-6-5-7-11-19/h5-18,29,31H,1-4H3,(H,34,35)