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disodium (3E)-3-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-8-sulfonato-4H-benzo[f]quinoline-1-carboxylate

disodium (3E)-3-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-8-sulfonato-4H-benzo[f]quinoline-1-carboxylate

Systemtic Name:disodium (3E)-3-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-8-sulfonato-4H-benzo[f]quinoline-1-carboxylate
Openeye Name:disodium (3E)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-8-sulfonato-4H-benzo[f]quinoline-1-carboxylate
CAS Name:disodium (3E)-3-(6-oxo-1-cyclohexa-2,4-dienylidene)-8-sulfonato-4H-benzo[f]quinoline-1-carboxylate
IUPAC Name:disodium (3E)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-8-sulfonato-4H-benzo[f]quinoline-1-carboxylate
Traditional Name:disodium (3E)-3-(6-ketocyclohexa-2,4-dien-1-ylidene)-8-sulfonato-4H-benzo[f]quinoline-1-carboxylate
Formula: C20H11NNa2O6S
MolecularWeight: 439.34898
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(C3=C(N2)C=CC4=C3C=CC(=C4)S(=O)(=O)[O-])C(=O)[O-])C(=O)C=C1.[Na+].[Na+]


Isomeric SMILES

C1=C/C(=C\2/C=C(C3=C(N2)C=CC4=C3C=CC(=C4)S(=O)(=O)[O-])C(=O)[O-])/C(=O)C=C1.[Na+].[Na+]


InChI

InChI=1S/C20H13NO6S.2Na/c22-18-4-2-1-3-14(18)17-10-15(20(23)24)19-13-7-6-12(28(25,26)27)9-11(13)5-8-16(19)21-17;;/h1-10,21H,(H,23,24)(H,25,26,27);;/q;2*+1/p-2/b17-14+;;


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