3-methoxycyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: 3-methoxycyclohexa-1,5-diene-1-sulfonic acid Openeye Name: 3-methoxycyclohexa-1,5-diene-1-sulfonic acid CAS Name: 3-methoxy-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: 3-methoxycyclohexa-1,5-diene-1-sulfonic acid Traditional Name: 3-methoxycyclohexa-1,5-diene-1-sulfonic acid Formula: C7H10O4S MolecularWeight: 190.2169

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC=CC(=C1)S(=O)(=O)O

Isomeric SMILES

COC1CC=CC(=C1)S(=O)(=O)O

InChI

InChI=1S/C7H10O4S/c1-11-6-3-2-4-7(5-6)12(8,9)10/h2,4-6H,3H2,1H3,(H,8,9,10)