2-[3,6-diacetyloxy-2,4,5,7-tetrakis(bromanyl)xanthen-10-ium-9-yl]benzoic acid

Systemtic Name: 2-[3,6-diacetyloxy-2,4,5,7-tetrakis(bromanyl)xanthen-10-ium-9-yl]benzoic acid Openeye Name: 2-(3,6-diacetoxy-2,4,5,7-tetrabromo-xanthen-10-ium-9-yl)benzoic acid CAS Name: 2-(3,6-diacetyloxy-2,4,5,7-tetrabromo-9-xanthen-10-iumyl)benzoic acid IUPAC Name: 2-(3,6-diacetyloxy-2,4,5,7-tetrabromoxanthen-10-ium-9-yl)benzoic acid Traditional Name: 2-(3,6-diacetoxy-2,4,5,7-tetrabromo-xanthen-10-ium-9-yl)benzoic acid Formula: C24H13Br4O7+ MolecularWeight: 732.97182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C2=[O+]C3=C(C(=C(C=C3C(=C2C=C1Br)C4=CC=CC=C4C(=O)O)Br)OC(=O)C)Br)Br

Isomeric SMILES

CC(=O)OC1=C(C2=[O+]C3=C(C(=C(C=C3C(=C2C=C1Br)C4=CC=CC=C4C(=O)O)Br)OC(=O)C)Br)Br

InChI

InChI=1S/C24H12Br4O7/c1-9(29)33-22-15(25)7-13-17(11-5-3-4-6-12(11)24(31)32)14-8-16(26)23(34-10(2)30)19(28)21(14)35-20(13)18(22)27/h3-8H,1-2H3/p+1