disodium 3-[4-(3-sulfonatooxyprop-1-ynyl)thiophen-3-yl]prop-2-ynyl sulfate

Systemtic Name: disodium 3-[4-(3-sulfonatooxyprop-1-ynyl)thiophen-3-yl]prop-2-ynyl sulfate Openeye Name: disodium 3-[4-(3-sulfonatooxyprop-1-ynyl)-3-thienyl]prop-2-ynyl sulfate CAS Name: disodium 3-[4-(3-sulfonatooxyprop-1-ynyl)-3-thiophenyl]prop-2-ynyl sulfate IUPAC Name: disodium 3-[4-(3-sulfonatooxyprop-1-ynyl)thiophen-3-yl]prop-2-ynyl sulfate Traditional Name: disodium 3-[4-(3-sulfatoprop-1-ynyl)-3-thienyl]prop-2-ynyl sulfate Formula: C10H6Na2O8S3 MolecularWeight: 396.32438

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CS1)C#CCOS(=O)(=O)[O-])C#CCOS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=C(C(=CS1)C#CCOS(=O)(=O)[O-])C#CCOS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C10H8O8S3.2Na/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);;/q;2*+1/p-2