2-methoxy-4-oxidanyl-4-(phenylcarbonyl)cyclohexa-1,5-diene-1-sulfonate

Systemtic Name: 2-methoxy-4-oxidanyl-4-(phenylcarbonyl)cyclohexa-1,5-diene-1-sulfonate Openeye Name: 4-benzoyl-4-hydroxy-2-methoxy-cyclohexa-1,5-diene-1-sulfonate CAS Name: 4-benzoyl-4-hydroxy-2-methoxy-1-cyclohexa-1,5-dienesulfonate IUPAC Name: 4-benzoyl-4-hydroxy-2-methoxycyclohexa-1,5-diene-1-sulfonate Traditional Name: 4-benzoyl-4-hydroxy-2-methoxy-cyclohexa-1,5-diene-1-sulfonate Formula: C14H13O6S- MolecularWeight: 309.31442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(C1)(C(=O)C2=CC=CC=C2)O)S(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=CC(C1)(C(=O)C2=CC=CC=C2)O)S(=O)(=O)[O-]

InChI

InChI=1S/C14H14O6S/c1-20-11-9-14(16,8-7-12(11)21(17,18)19)13(15)10-5-3-2-4-6-10/h2-8,16H,9H2,1H3,(H,17,18,19)/p-1