3-[4-(3-sulfooxyprop-1-ynyl)thiophen-3-yl]prop-2-ynyl hydrogen sulfate

Systemtic Name: 3-[4-(3-sulfooxyprop-1-ynyl)thiophen-3-yl]prop-2-ynyl hydrogen sulfate Openeye Name: 3-[4-(3-sulfooxyprop-1-ynyl)-3-thienyl]prop-2-ynyl hydrogen sulfate CAS Name: sulfuric acid 3-[4-(3-sulfooxyprop-1-ynyl)-3-thiophenyl]prop-2-ynyl ester IUPAC Name: 3-[4-(3-sulfooxyprop-1-ynyl)thiophen-3-yl]prop-2-ynyl hydrogen sulfate Traditional Name: sulfuric acid 3-[4-(3-sulfoxyprop-1-ynyl)-3-thienyl]prop-2-ynyl ester Formula: C10H8O8S3 MolecularWeight: 352.36072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CS1)C#CCOS(=O)(=O)O)C#CCOS(=O)(=O)O

Isomeric SMILES

C1=C(C(=CS1)C#CCOS(=O)(=O)O)C#CCOS(=O)(=O)O

InChI

InChI=1S/C10H8O8S3/c11-20(12,13)17-5-1-3-9-7-19-8-10(9)4-2-6-18-21(14,15)16/h7-8H,5-6H2,(H,11,12,13)(H,14,15,16)