disodium; 2-methoxy-5-[(E)-prop-1-enyl]benzenesulfonate; 5-methoxy-2-[(E)-prop-1-enyl]benzenesulfonate

Systemtic Name: disodium; 2-methoxy-5-[(E)-prop-1-enyl]benzenesulfonate; 5-methoxy-2-[(E)-prop-1-enyl]benzenesulfonate Openeye Name: disodium; 2-methoxy-5-[(E)-prop-1-enyl]benzenesulfonate; 5-methoxy-2-[(E)-prop-1-enyl]benzenesulfonate CAS Name: disodium; 2-methoxy-5-[(E)-prop-1-enyl]benzenesulfonate; 5-methoxy-2-[(E)-prop-1-enyl]benzenesulfonate IUPAC Name: disodium; 2-methoxy-5-[(E)-prop-1-enyl]benzenesulfonate; 5-methoxy-2-[(E)-prop-1-enyl]benzenesulfonate Traditional Name: disodium; 2-methoxy-5-[(E)-prop-1-enyl]besylate; 5-methoxy-2-[(E)-prop-1-enyl]besylate Formula: C20H22Na2O8S2 MolecularWeight: 500.49342

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C=C1)OC)S(=O)(=O)[O-].CC=CC1=C(C=C(C=C1)OC)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/2C10H12O4S.2Na/c1-3-4-8-5-6-9(14-2)7-10(8)15(11,12)13;1-3-4-8-5-6-9(14-2)10(7-8)15(11,12)13;;/h2*3-7H,1-2H3,(H,11,12,13);;/q;;2*+1/p-2/b2*4-3+;;