(1-naphthalen-2-yloxy-6-oxidanyl-2,4,5-trisulfooxy-hexan-3-yl) hydrogen sulfate

Systemtic Name: (1-naphthalen-2-yloxy-6-oxidanyl-2,4,5-trisulfooxy-hexan-3-yl) hydrogen sulfate Openeye Name: [1-(hydroxymethyl)-5-(2-naphthyloxy)-2,3,4-trisulfooxy-pentyl] hydrogen sulfate CAS Name: sulfuric acid [1-hydroxy-6-(2-naphthalenyloxy)-2,4,5-trisulfooxyhexan-3-yl] ester IUPAC Name: (1-hydroxy-6-naphthalen-2-yloxy-2,4,5-trisulfooxyhexan-3-yl) hydrogen sulfate Traditional Name: sulfuric acid [5-hydroxy-1-(2-naphthoxymethyl)-2,3,4-trisulfoxy-pentyl] ester Formula: C16H20O18S4 MolecularWeight: 628.5792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)OCC(C(C(C(CO)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)OCC(C(C(C(CO)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C16H20O18S4/c17-8-13(31-35(18,19)20)15(33-37(24,25)26)16(34-38(27,28)29)14(32-36(21,22)23)9-30-12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-17H,8-9H2,(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)