ethyl 2-[2-chloranyl-6-(dibutylamino)-3-methyl-9H-xanthen-9-yl]benzoate

Systemtic Name: ethyl 2-[2-chloranyl-6-(dibutylamino)-3-methyl-9H-xanthen-9-yl]benzoate Openeye Name: ethyl 2-[2-chloro-6-(dibutylamino)-3-methyl-9H-xanthen-9-yl]benzoate CAS Name: 2-[2-chloro-6-(dibutylamino)-3-methyl-9H-xanthen-9-yl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[2-chloro-6-(dibutylamino)-3-methyl-9H-xanthen-9-yl]benzoate Traditional Name: 2-[2-chloro-6-(dibutylamino)-3-methyl-9H-xanthen-9-yl]benzoic acid ethyl ester Formula: C31H36ClNO3 MolecularWeight: 506.07544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC2=C(C=C1)C(C3=CC(=C(C=C3O2)C)Cl)C4=CC=CC=C4C(=O)OCC

Isomeric SMILES

CCCCN(CCCC)C1=CC2=C(C=C1)C(C3=CC(=C(C=C3O2)C)Cl)C4=CC=CC=C4C(=O)OCC

InChI

InChI=1S/C31H36ClNO3/c1-5-8-16-33(17-9-6-2)22-14-15-25-29(19-22)36-28-18-21(4)27(32)20-26(28)30(25)23-12-10-11-13-24(23)31(34)35-7-3/h10-15,18-20,30H,5-9,16-17H2,1-4H3