4-[1-(carboxymethyl)-5,6,8-tris(chloranyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]benzoic acid

Systemtic Name: 4-[1-(carboxymethyl)-5,6,8-tris(chloranyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]benzoic acid Openeye Name: 4-[1-(carboxymethyl)-5,6,8-trichloro-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]benzoic acid CAS Name: 4-[1-(carboxymethyl)-5,6,8-trichloro-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]benzoic acid IUPAC Name: 4-[1-(carboxymethyl)-5,6,8-trichloro-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]benzoic acid Traditional Name: 4-[1-(carboxymethyl)-5,6,8-trichloro-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl]benzoic acid Formula: C20H14Cl3NO5 MolecularWeight: 454.68786

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=C1C3=C(N2)C(=CC(=C3Cl)Cl)Cl)(CC(=O)O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1COC(C2=C1C3=C(N2)C(=CC(=C3Cl)Cl)Cl)(CC(=O)O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H14Cl3NO5/c21-12-7-13(22)17-15(16(12)23)11-5-6-29-20(8-14(25)26,18(11)24-17)10-3-1-9(2-4-10)19(27)28/h1-4,7,24H,5-6,8H2,(H,25,26)(H,27,28)