disodium 2,4-dimethoxy-5-[(E)-3-(4-oxidanyl-3-sulfonato-phenyl)prop-2-enoyl]benzenesulfonate

Systemtic Name: disodium 2,4-dimethoxy-5-[(E)-3-(4-oxidanyl-3-sulfonato-phenyl)prop-2-enoyl]benzenesulfonate Openeye Name: disodium 5-[(E)-3-(4-hydroxy-3-sulfonato-phenyl)prop-2-enoyl]-2,4-dimethoxy-benzenesulfonate CAS Name: disodium 5-[(E)-3-(4-hydroxy-3-sulfonatophenyl)-1-oxoprop-2-enyl]-2,4-dimethoxybenzenesulfonate IUPAC Name: disodium 5-[(E)-3-(4-hydroxy-3-sulfonatophenyl)prop-2-enoyl]-2,4-dimethoxybenzenesulfonate Traditional Name: disodium 5-[(E)-3-(4-hydroxy-3-sulfonato-phenyl)acryloyl]-2,4-dimethoxy-besylate Formula: C17H14Na2O10S2 MolecularWeight: 488.3966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)C=CC2=CC(=C(C=C2)O)S(=O)(=O)[O-])S(=O)(=O)[O-])OC.[Na+].[Na+]

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)/C=C/C2=CC(=C(C=C2)O)S(=O)(=O)[O-])S(=O)(=O)[O-])OC.[Na+].[Na+]

InChI

InChI=1S/C17H16O10S2.2Na/c1-26-14-9-15(27-2)17(29(23,24)25)8-11(14)12(18)5-3-10-4-6-13(19)16(7-10)28(20,21)22;;/h3-9,19H,1-2H3,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2/b5-3+;;