2-(3,6-diphosphonooxyxanthen-10-ium-9-yl)benzoic acid

Systemtic Name: 2-(3,6-diphosphonooxyxanthen-10-ium-9-yl)benzoic acid Openeye Name: 2-(3,6-diphosphonooxyxanthen-10-ium-9-yl)benzoic acid CAS Name: 2-(3,6-diphosphonooxy-9-xanthen-10-iumyl)benzoic acid IUPAC Name: 2-(3,6-diphosphonooxyxanthen-10-ium-9-yl)benzoic acid Traditional Name: 2-(3,6-diphosphonooxyxanthen-10-ium-9-yl)benzoic acid Formula: C20H15O11P2+ MolecularWeight: 493.274022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=CC(=CC3=[O+]C4=C2C=CC(=C4)OP(=O)(O)O)OP(=O)(O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=CC(=CC3=[O+]C4=C2C=CC(=C4)OP(=O)(O)O)OP(=O)(O)O)C(=O)O

InChI

InChI=1S/C20H14O11P2/c21-20(22)14-4-2-1-3-13(14)19-15-7-5-11(30-32(23,24)25)9-17(15)29-18-10-12(6-8-16(18)19)31-33(26,27)28/h1-10H,(H4-,21,22,23,24,25,26,27,28)/p+1