sodium [(Z)-5-methoxy-5-oxidanylidene-4-(sulfonatosulfanylmethyl)pent-3-enyl]benzene

Systemtic Name: sodium [(Z)-5-methoxy-5-oxidanylidene-4-(sulfonatosulfanylmethyl)pent-3-enyl]benzene Openeye Name: sodium [(Z)-5-methoxy-5-oxo-4-(sulfonatosulfanylmethyl)pent-3-enyl]benzene CAS Name: sodium [(Z)-5-methoxy-5-oxo-4-[(sulfonatothio)methyl]pent-3-enyl]benzene IUPAC Name: sodium [(Z)-5-methoxy-5-oxo-4-(sulfonatosulfanylmethyl)pent-3-enyl]benzene Traditional Name: sodium [(Z)-5-keto-5-methoxy-4-[(sulfonatothio)methyl]pent-3-enyl]benzene Formula: C13H15NaO5S2 MolecularWeight: 338.37497

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CCCC1=CC=CC=C1)CSS(=O)(=O)[O-].[Na+]

Isomeric SMILES

COC(=O)/C(=C/CCC1=CC=CC=C1)/CSS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H16O5S2.Na/c1-18-13(14)12(10-19-20(15,16)17)9-5-8-11-6-3-2-4-7-11;/h2-4,6-7,9H,5,8,10H2,1H3,(H,15,16,17);/q;+1/p-1/b12-9+;