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

Systemtic Name: sodium 2-methoxy-5-[(Z)-(1-oxidanylidene-3,4-dihydronaphthalen-2-ylidene)methyl]benzenesulfonate hydrate Openeye Name: sodium 2-methoxy-5-[(Z)-(1-oxotetralin-2-ylidene)methyl]benzenesulfonate hydrate CAS Name: sodium 2-methoxy-5-[(Z)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzenesulfonate hydrate IUPAC Name: sodium 2-methoxy-5-[(Z)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzenesulfonate hydrate Traditional Name: sodium 5-[(Z)-(1-ketotetralin-2-ylidene)methyl]-2-methoxy-besylate hydrate Formula: C18H17NaO6S MolecularWeight: 384.37875

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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-].O.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C18H16O5S.Na.H2O/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);;1H2/q;+1;/p-1/b14-10-;;