sodium 2-methoxy-5-[(E)-(1-oxidanylidene-3,4-dihydronaphthalen-2-ylidene)methyl]benzenesulfonate

Systemtic Name: sodium 2-methoxy-5-[(E)-(1-oxidanylidene-3,4-dihydronaphthalen-2-ylidene)methyl]benzenesulfonate Openeye Name: sodium 2-methoxy-5-[(E)-(1-oxotetralin-2-ylidene)methyl]benzenesulfonate CAS Name: sodium 2-methoxy-5-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzenesulfonate IUPAC Name: sodium 2-methoxy-5-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzenesulfonate Traditional Name: sodium 5-[(E)-(1-ketotetralin-2-ylidene)methyl]-2-methoxy-besylate Formula: C18H15NaO5S MolecularWeight: 366.36347

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2CCC3=CC=CC=C3C2=O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/2\CCC3=CC=CC=C3C2=O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H16O5S.Na/c1-23-16-9-6-12(11-17(16)24(20,21)22)10-14-8-7-13-4-2-3-5-15(13)18(14)19;/h2-6,9-11H,7-8H2,1H3,(H,20,21,22);/q;+1/p-1/b14-10+;