2-methoxy-5-[(4-methoxy-2-oxidanyl-5-sulfo-phenyl)methyl]-4-oxidanyl-benzenesulfonic acid

Systemtic Name: 2-methoxy-5-[(4-methoxy-2-oxidanyl-5-sulfo-phenyl)methyl]-4-oxidanyl-benzenesulfonic acid Openeye Name: 4-hydroxy-5-[(2-hydroxy-4-methoxy-5-sulfo-phenyl)methyl]-2-methoxy-benzenesulfonic acid CAS Name: 4-hydroxy-5-[(2-hydroxy-4-methoxy-5-sulfophenyl)methyl]-2-methoxybenzenesulfonic acid IUPAC Name: 4-hydroxy-5-[(2-hydroxy-4-methoxy-5-sulfophenyl)methyl]-2-methoxybenzenesulfonic acid Traditional Name: 4-hydroxy-5-(2-hydroxy-4-methoxy-5-sulfo-benzyl)-2-methoxy-besylic acid Formula: C15H16O10S2 MolecularWeight: 420.41154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)O)CC2=CC(=C(C=C2O)OC)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)O)CC2=CC(=C(C=C2O)OC)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H16O10S2/c1-24-12-6-10(16)8(4-14(12)26(18,19)20)3-9-5-15(27(21,22)23)13(25-2)7-11(9)17/h4-7,16-17H,3H2,1-2H3,(H,18,19,20)(H,21,22,23)