1,7-bis(3-methoxy-4-oxidanyl-phenyl)-3,5-bis(oxidanylidene)heptane-1,7-disulfonic acid

Systemtic Name: 1,7-bis(3-methoxy-4-oxidanyl-phenyl)-3,5-bis(oxidanylidene)heptane-1,7-disulfonic acid Openeye Name: 1,7-bis(4-hydroxy-3-methoxy-phenyl)-3,5-dioxo-heptane-1,7-disulfonic acid CAS Name: 1,7-bis(4-hydroxy-3-methoxyphenyl)-3,5-dioxoheptane-1,7-disulfonic acid IUPAC Name: 1,7-bis(4-hydroxy-3-methoxyphenyl)-3,5-dioxoheptane-1,7-disulfonic acid Traditional Name: 1,7-bis(4-hydroxy-3-methoxy-phenyl)-3,5-diketo-heptane-1,7-disulfonic acid Formula: C21H24O12S2 MolecularWeight: 532.53806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(CC(=O)CC(=O)CC(C2=CC(=C(C=C2)O)OC)S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(CC(=O)CC(=O)CC(C2=CC(=C(C=C2)O)OC)S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C21H24O12S2/c1-32-18-7-12(3-5-16(18)24)20(34(26,27)28)10-14(22)9-15(23)11-21(35(29,30)31)13-4-6-17(25)19(8-13)33-2/h3-8,20-21,24-25H,9-11H2,1-2H3,(H,26,27,28)(H,29,30,31)