2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-1-yl]benzoic acid

Systemtic Name: 2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-1-yl]benzoic acid Openeye Name: 2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-1-yl]benzoic acid CAS Name: 2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-1-xanthenyl]benzoic acid IUPAC Name: 2-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-1-yl]benzoic acid Traditional Name: 2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-1-yl]benzoic acid Formula: C26H26N2O3 MolecularWeight: 414.49624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC2=C(C=C3C=C(C(=NCC)C=C3O2)C)C(=C1C)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCNC1=CC2=C(C=C3C=C(C(=NCC)C=C3O2)C)C(=C1C)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C26H26N2O3/c1-5-27-21-13-23-17(11-15(21)3)12-20-24(31-23)14-22(28-6-2)16(4)25(20)18-9-7-8-10-19(18)26(29)30/h7-14,28H,5-6H2,1-4H3,(H,29,30)