2-[2,4,5,7-tetrakis(bromanyl)-3-methyl-6-oxidanylidene-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[2,4,5,7-tetrakis(bromanyl)-3-methyl-6-oxidanylidene-xanthen-9-yl]benzoic acid Openeye Name: 2-(2,4,5,7-tetrabromo-3-methyl-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 2-(2,4,5,7-tetrabromo-3-methyl-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 2-(2,4,5,7-tetrabromo-3-methyl-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 2-(2,4,5,7-tetrabromo-3-keto-6-methyl-xanthen-9-yl)benzoic acid Formula: C21H10Br4O4 MolecularWeight: 645.9177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C3C=C(C(=O)C(=C3OC2=C1Br)Br)Br)C4=CC=CC=C4C(=O)O)Br

Isomeric SMILES

CC1=C(C=C2C(=C3C=C(C(=O)C(=C3OC2=C1Br)Br)Br)C4=CC=CC=C4C(=O)O)Br

InChI

InChI=1S/C21H10Br4O4/c1-8-13(22)6-11-15(9-4-2-3-5-10(9)21(27)28)12-7-14(23)18(26)17(25)20(12)29-19(11)16(8)24/h2-7H,1H3,(H,27,28)