3,4,6-tris(chloranyl)-5-(3-oxidanyl-6-oxidanylidene-2-propoxy-xanthen-9-yl)phthalic acid

Systemtic Name: 3,4,6-tris(chloranyl)-5-(3-oxidanyl-6-oxidanylidene-2-propoxy-xanthen-9-yl)phthalic acid Openeye Name: 3,4,6-trichloro-5-(3-hydroxy-6-oxo-2-propoxy-xanthen-9-yl)phthalic acid CAS Name: 3,4,6-trichloro-5-(3-hydroxy-6-oxo-2-propoxy-9-xanthenyl)phthalic acid IUPAC Name: 3,4,6-trichloro-5-(3-hydroxy-6-oxo-2-propoxyxanthen-9-yl)phthalic acid Traditional Name: 3,4,6-trichloro-5-(3-hydroxy-6-keto-2-propoxy-xanthen-9-yl)phthalic acid Formula: C24H15Cl3O8 MolecularWeight: 537.7301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C2C(=C1)C(=C3C=CC(=O)C=C3O2)C4=C(C(=C(C(=C4Cl)Cl)C(=O)O)C(=O)O)Cl)O

Isomeric SMILES

CCCOC1=C(C=C2C(=C1)C(=C3C=CC(=O)C=C3O2)C4=C(C(=C(C(=C4Cl)Cl)C(=O)O)C(=O)O)Cl)O

InChI

InChI=1S/C24H15Cl3O8/c1-2-5-34-15-7-11-14(8-12(15)29)35-13-6-9(28)3-4-10(13)16(11)17-20(25)18(23(30)31)19(24(32)33)22(27)21(17)26/h3-4,6-8,29H,2,5H2,1H3,(H,30,31)(H,32,33)