(3-sulfooxyphenanthren-4-yl) hydrogen sulfate

Systemtic Name: (3-sulfooxyphenanthren-4-yl) hydrogen sulfate Openeye Name: (3-sulfooxy-4-phenanthryl) hydrogen sulfate CAS Name: sulfuric acid (3-sulfooxy-4-phenanthrenyl) ester IUPAC Name: (3-sulfooxyphenanthren-4-yl) hydrogen sulfate Traditional Name: sulfuric acid (3-sulfoxy-4-phenanthryl) ester Formula: C14H10O8S2 MolecularWeight: 370.3544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=C(C=C3)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=C(C=C3)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C14H10O8S2/c15-23(16,17)21-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)14(12)22-24(18,19)20/h1-8H,(H,15,16,17)(H,18,19,20)