Information from the InChI

There are no matching entries in the database for this IUPAC International Chemical Identifier. The following information was obtained from the identifier.

• Formula: C₁₈H₁₂CaN₂O₆S
• Molecular weight: 424.441
• IUPAC Standard InChI:
  • InChI=1S/C18H14N2O6S.Ca/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);/q; 2/p-2
• IUPAC Standard InChIKey: LBRVVHOAOJBUTA-UHFFFAOYSA-N
• Connectivity:
• 2-d Mol File from the identifier
• Canonical atom numbers:
  Note: stereochemistry is currently not indicated in the items above.
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Contents of the identifier

Identifier version: 1

Main section

• Formula: C18H14N2O6S.Ca
• Connectivity: 1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;
• Hydrogen: 2-9,21H,1H3,(H,22,23)(H,24,25,26);
• Charge: ; 2
• Proton: -2