2-[3,6-diacetyloxy-2,7-bis(chloranyl)xanthen-10-ium-9-yl]benzoic acid

Systemtic Name: 2-[3,6-diacetyloxy-2,7-bis(chloranyl)xanthen-10-ium-9-yl]benzoic acid Openeye Name: 2-(3,6-diacetoxy-2,7-dichloro-xanthen-10-ium-9-yl)benzoic acid CAS Name: 2-(3,6-diacetyloxy-2,7-dichloro-9-xanthen-10-iumyl)benzoic acid IUPAC Name: 2-(3,6-diacetyloxy-2,7-dichloroxanthen-10-ium-9-yl)benzoic acid Traditional Name: 2-(3,6-diacetoxy-2,7-dichloro-xanthen-10-ium-9-yl)benzoic acid Formula: C24H15Cl2O7+ MolecularWeight: 486.2777

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=[O+]C3=CC(=C(C=C3C(=C2C=C1Cl)C4=CC=CC=C4C(=O)O)Cl)OC(=O)C

Isomeric SMILES

CC(=O)OC1=CC2=[O+]C3=CC(=C(C=C3C(=C2C=C1Cl)C4=CC=CC=C4C(=O)O)Cl)OC(=O)C

InChI

InChI=1S/C24H14Cl2O7/c1-11(27)31-21-9-19-15(7-17(21)25)23(13-5-3-4-6-14(13)24(29)30)16-8-18(26)22(32-12(2)28)10-20(16)33-19/h3-10H,1-2H3/p+1