2-sulfoethanoate; 2,4,6-trimethylpyrylium

Systemtic Name: 2-sulfoethanoate; 2,4,6-trimethylpyrylium Openeye Name: 2-sulfoacetate; 2,4,6-trimethylpyrylium CAS Name: 2-sulfoacetate; 2,4,6-trimethylpyrylium IUPAC Name: 2-sulfoacetate; 2,4,6-trimethylpyrylium Traditional Name: 2-sulfoacetate; 2,4,6-trimethylpyrylium Formula: C10H14O6S MolecularWeight: 262.27956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[O+]C(=C1)C)C.C(C(=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC1=CC(=[O+]C(=C1)C)C.C(C(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C8H11O.C2H4O5S/c1-6-4-7(2)9-8(3)5-6;3-2(4)1-8(5,6)7/h4-5H,1-3H3;1H2,(H,3,4)(H,5,6,7)/q+1;/p-1