hydrogen sulfate; xanthen-10-ium-1,3-diol

Systemtic Name: hydrogen sulfate; xanthen-10-ium-1,3-diol Openeye Name: hydrogen sulfate; xanthen-10-ium-1,3-diol CAS Name: hydrogen sulfate; xanthen-10-ium-1,3-diol IUPAC Name: hydrogen sulfate; xanthen-10-ium-1,3-diol Traditional Name: xanthen-10-ium-1,3-diol bisulfate Formula: C13H10O7S MolecularWeight: 310.2793

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C(=CC(=CC3=[O+]2)O)O.OS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C(=CC(=CC3=[O+]2)O)O.OS(=O)(=O)[O-]

InChI

InChI=1S/C13H8O3.H2O4S/c14-9-6-11(15)10-5-8-3-1-2-4-12(8)16-13(10)7-9;1-5(2,3)4/h1-7H,(H-,14,15);(H2,1,2,3,4)