ethyl 2-[2-methyl-3-[2,3,7-tris(oxidanyl)-6-oxidanylidene-xanthen-9-yl]indol-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-methyl-3-[2,3,7-tris(oxidanyl)-6-oxidanylidene-xanthen-9-yl]indol-1-yl]ethanoate Openeye Name: ethyl 2-[2-methyl-3-(2,3,7-trihydroxy-6-oxo-xanthen-9-yl)indol-1-yl]acetate CAS Name: 2-[2-methyl-3-(2,3,7-trihydroxy-6-oxo-9-xanthenyl)-1-indolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-methyl-3-(2,3,7-trihydroxy-6-oxoxanthen-9-yl)indol-1-yl]acetate Traditional Name: 2-[2-methyl-3-(2,3,7-trihydroxy-6-keto-xanthen-9-yl)indol-1-yl]acetic acid ethyl ester Formula: C26H21NO7 MolecularWeight: 459.44744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=C(C2=CC=CC=C21)C3=C4C=C(C(=O)C=C4OC5=CC(=C(C=C53)O)O)O)C

Isomeric SMILES

CCOC(=O)CN1C(=C(C2=CC=CC=C21)C3=C4C=C(C(=O)C=C4OC5=CC(=C(C=C53)O)O)O)C

InChI

InChI=1S/C26H21NO7/c1-3-33-24(32)12-27-13(2)25(14-6-4-5-7-17(14)27)26-15-8-18(28)20(30)10-22(15)34-23-11-21(31)19(29)9-16(23)26/h4-11,28-30H,3,12H2,1-2H3