6,6-dimethoxy-4,4-bis(oxidanyl)-3-(phenylcarbonyl)cyclohex-2-ene-1,1-disulfonic acid

Systemtic Name: 6,6-dimethoxy-4,4-bis(oxidanyl)-3-(phenylcarbonyl)cyclohex-2-ene-1,1-disulfonic acid Openeye Name: 3-benzoyl-4,4-dihydroxy-6,6-dimethoxy-cyclohex-2-ene-1,1-disulfonic acid CAS Name: 3-benzoyl-4,4-dihydroxy-6,6-dimethoxycyclohex-2-ene-1,1-disulfonic acid IUPAC Name: 3-benzoyl-4,4-dihydroxy-6,6-dimethoxycyclohex-2-ene-1,1-disulfonic acid Traditional Name: 3-benzoyl-4,4-dihydroxy-6,6-dimethoxy-cyclohex-2-ene-1,1-disulfonic acid Formula: C15H18O11S2 MolecularWeight: 438.42682

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CC(C(=CC1(S(=O)(=O)O)S(=O)(=O)O)C(=O)C2=CC=CC=C2)(O)O)OC

Isomeric SMILES

COC1(CC(C(=CC1(S(=O)(=O)O)S(=O)(=O)O)C(=O)C2=CC=CC=C2)(O)O)OC

InChI

InChI=1S/C15H18O11S2/c1-25-14(26-2)9-13(17,18)11(12(16)10-6-4-3-5-7-10)8-15(14,27(19,20)21)28(22,23)24/h3-8,17-18H,9H2,1-2H3,(H,19,20,21)(H,22,23,24)