3-[3,6-di(butanoyloxy)xanthen-10-ium-9-yl]benzoic acid

Systemtic Name: 3-[3,6-di(butanoyloxy)xanthen-10-ium-9-yl]benzoic acid Openeye Name: 3-[3,6-di(butanoyloxy)xanthen-10-ium-9-yl]benzoic acid CAS Name: 3-[3,6-bis(1-oxobutoxy)-9-xanthen-10-iumyl]benzoic acid IUPAC Name: 3-[3,6-di(butanoyloxy)xanthen-10-ium-9-yl]benzoic acid Traditional Name: 3-(3,6-dibutyryloxyxanthen-10-ium-9-yl)benzoic acid Formula: C28H25O7+ MolecularWeight: 473.4939

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC2=C(C=C1)C(=C3C=CC(=CC3=[O+]2)OC(=O)CCC)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

CCCC(=O)OC1=CC2=C(C=C1)C(=C3C=CC(=CC3=[O+]2)OC(=O)CCC)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C28H24O7/c1-3-6-25(29)33-19-10-12-21-23(15-19)35-24-16-20(34-26(30)7-4-2)11-13-22(24)27(21)17-8-5-9-18(14-17)28(31)32/h5,8-16H,3-4,6-7H2,1-2H3/p+1