2-[3-[[4-(diethylamino)phenyl]amino]-6-[4-(diethylamino)phenyl]imino-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[3-[[4-(diethylamino)phenyl]amino]-6-[4-(diethylamino)phenyl]imino-xanthen-9-yl]benzoic acid Openeye Name: 2-[3-[4-(diethylamino)anilino]-6-[4-(diethylamino)phenyl]imino-xanthen-9-yl]benzoic acid CAS Name: 2-[3-[4-(diethylamino)anilino]-6-[4-(diethylamino)phenyl]imino-9-xanthenyl]benzoic acid IUPAC Name: 2-[3-[4-(diethylamino)anilino]-6-[4-(diethylamino)phenyl]iminoxanthen-9-yl]benzoic acid Traditional Name: 2-[3-[4-(diethylamino)anilino]-6-[4-(diethylamino)phenyl]imino-xanthen-9-yl]benzoic acid Formula: C40H40N4O3 MolecularWeight: 624.7706

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC2=CC3=C(C=C2)C(=C4C=CC(=NC5=CC=C(C=C5)N(CC)CC)C=C4O3)C6=CC=CC=C6C(=O)O

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC2=CC3=C(C=C2)C(=C4C=CC(=NC5=CC=C(C=C5)N(CC)CC)C=C4O3)C6=CC=CC=C6C(=O)O

InChI

InChI=1S/C40H40N4O3/c1-5-43(6-2)31-19-13-27(14-20-31)41-29-17-23-35-37(25-29)47-38-26-30(42-28-15-21-32(22-16-28)44(7-3)8-4)18-24-36(38)39(35)33-11-9-10-12-34(33)40(45)46/h9-26,41H,5-8H2,1-4H3,(H,45,46)