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

Systemtic Name: 2-[3,6-bis(diethylamino)-9-phenylazanyl-9H-thioxanthen-1-yl]benzoic acid Openeye Name: 2-[9-anilino-3,6-bis(diethylamino)-9H-thioxanthen-1-yl]benzoic acid CAS Name: 2-[9-anilino-3,6-bis(diethylamino)-9H-thioxanthen-1-yl]benzoic acid IUPAC Name: 2-[9-anilino-3,6-bis(diethylamino)-9H-thioxanthen-1-yl]benzoic acid Traditional Name: 2-[9-anilino-3,6-bis(diethylamino)-9H-thioxanthen-1-yl]benzoic acid Formula: C34H37N3O2S MolecularWeight: 551.74148

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(C3=C(S2)C=C(C=C3C4=CC=CC=C4C(=O)O)N(CC)CC)NC5=CC=CC=C5

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(C3=C(S2)C=C(C=C3C4=CC=CC=C4C(=O)O)N(CC)CC)NC5=CC=CC=C5

InChI

InChI=1S/C34H37N3O2S/c1-5-36(6-2)24-18-19-28-30(21-24)40-31-22-25(37(7-3)8-4)20-29(26-16-12-13-17-27(26)34(38)39)32(31)33(28)35-23-14-10-9-11-15-23/h9-22,33,35H,5-8H2,1-4H3,(H,38,39)