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

Systemtic Name: disodium 2,4-dimethoxy-5-[(E)-3-(4-methoxy-3-sulfonato-phenyl)prop-2-enoyl]benzenesulfonate Openeye Name: disodium 2,4-dimethoxy-5-[(E)-3-(4-methoxy-3-sulfonato-phenyl)prop-2-enoyl]benzenesulfonate CAS Name: disodium 2,4-dimethoxy-5-[(E)-3-(4-methoxy-3-sulfonatophenyl)-1-oxoprop-2-enyl]benzenesulfonate IUPAC Name: disodium 2,4-dimethoxy-5-[(E)-3-(4-methoxy-3-sulfonatophenyl)prop-2-enoyl]benzenesulfonate Traditional Name: disodium 2,4-dimethoxy-5-[(E)-3-(4-methoxy-3-sulfonato-phenyl)acryloyl]besylate Formula: C18H16Na2O10S2 MolecularWeight: 502.42318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=CC(=C(C=C2OC)OC)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC(=C(C=C2OC)OC)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H18O10S2.2Na/c1-26-14-7-5-11(8-17(14)29(20,21)22)4-6-13(19)12-9-18(30(23,24)25)16(28-3)10-15(12)27-2;;/h4-10H,1-3H3,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2/b6-4+;;