2-[3-azanylidene-6-(dimethylamino)-1,2-dimethyl-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[3-azanylidene-6-(dimethylamino)-1,2-dimethyl-xanthen-9-yl]benzoic acid Openeye Name: 2-[6-(dimethylamino)-3-imino-1,2-dimethyl-xanthen-9-yl]benzoic acid CAS Name: 2-[6-(dimethylamino)-3-imino-1,2-dimethyl-9-xanthenyl]benzoic acid IUPAC Name: 2-[6-(dimethylamino)-3-imino-1,2-dimethylxanthen-9-yl]benzoic acid Traditional Name: 2-[6-(dimethylamino)-3-imino-1,2-dimethyl-xanthen-9-yl]benzoic acid Formula: C24H22N2O3 MolecularWeight: 386.44308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C3=C(C=C(C=C3)N(C)C)OC2=CC1=N)C4=CC=CC=C4C(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C3=C(C=C(C=C3)N(C)C)OC2=CC1=N)C4=CC=CC=C4C(=O)O)C

InChI

InChI=1S/C24H22N2O3/c1-13-14(2)22-21(12-19(13)25)29-20-11-15(26(3)4)9-10-18(20)23(22)16-7-5-6-8-17(16)24(27)28/h5-12,25H,1-4H3,(H,27,28)