4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxycarbonyl-2-[3,6-diacetyloxy-2,4,5,7-tetrakis(bromanyl)xanthen-10-ium-9-yl]benzoic acid

Systemtic Name: 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxycarbonyl-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)-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-benzoic acid CAS Name: 2-(3,6-diacetyloxy-2,4,5,7-tetrabromo-9-xanthen-10-iumyl)-4-[(2,5-dioxo-1-pyrrolidinyl)oxy-oxomethyl]benzoic acid IUPAC Name: 2-(3,6-diacetyloxy-2,4,5,7-tetrabromoxanthen-10-ium-9-yl)-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylbenzoic acid Traditional Name: 2-(3,6-diacetoxy-2,4,5,7-tetrabromo-xanthen-10-ium-9-yl)-4-succinimidooxycarbonyl-benzoic acid Formula: C29H16Br4NO11+ MolecularWeight: 874.05344

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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=C(C=CC(=C4)C(=O)ON5C(=O)CCC5=O)C(=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=C(C=CC(=C4)C(=O)ON5C(=O)CCC5=O)C(=O)O)Br)OC(=O)C)Br)Br

InChI

InChI=1S/C29H15Br4NO11/c1-10(35)42-26-17(30)8-15-21(16-9-18(31)27(43-11(2)36)23(33)25(16)44-24(15)22(26)32)14-7-12(3-4-13(14)28(39)40)29(41)45-34-19(37)5-6-20(34)38/h3-4,7-9H,5-6H2,1-2H3/p+1