4-methylcyclohexa-1,3-dien-5-yne-1-sulfonic acid

Systemtic Name: 4-methylcyclohexa-1,3-dien-5-yne-1-sulfonic acid Openeye Name: 4-methylcyclohexa-1,3-dien-5-yne-1-sulfonic acid CAS Name: 4-methyl-1-cyclohexa-1,3-dien-5-ynesulfonic acid IUPAC Name: 4-methylcyclohexa-1,3-dien-5-yne-1-sulfonic acid Traditional Name: 4-methylcyclohexa-1,3-dien-5-yne-1-sulfonic acid Formula: C7H6O3S MolecularWeight: 170.18574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C#C1)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C#C1)S(=O)(=O)O

InChI

InChI=1S/C7H6O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2,4H,1H3,(H,8,9,10)