disodium 4-[(E)-(1-oxidanylidene-3,4-dihydronaphthalen-2-ylidene)methyl]benzene-1,3-disulfonate dihydrate

Systemtic Name: disodium 4-[(E)-(1-oxidanylidene-3,4-dihydronaphthalen-2-ylidene)methyl]benzene-1,3-disulfonate dihydrate Openeye Name: disodium 4-[(E)-(1-oxotetralin-2-ylidene)methyl]benzene-1,3-disulfonate dihydrate CAS Name: disodium 4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzene-1,3-disulfonate dihydrate IUPAC Name: disodium 4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzene-1,3-disulfonate dihydrate Traditional Name: disodium 4-[(E)-(1-ketotetralin-2-ylidene)methyl]benzene-1,3-disulfonate dihydrate Formula: C17H16Na2O9S2 MolecularWeight: 474.41308

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=C(C=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)C3=CC=CC=C31.O.O.[Na+].[Na+]

Isomeric SMILES

C1C/C(=C\C2=C(C=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])/C(=O)C3=CC=CC=C31.O.O.[Na+].[Na+]

InChI

InChI=1S/C17H14O7S2.2Na.2H2O/c18-17-13(6-5-11-3-1-2-4-15(11)17)9-12-7-8-14(25(19,20)21)10-16(12)26(22,23)24;;;;/h1-4,7-10H,5-6H2,(H,19,20,21)(H,22,23,24);;;2*1H2/q;2*+1;;/p-2/b13-9+;;;;