hexasodium 8-(8H-naphthalen-8-id-1-ylsulfanyl)-1H-naphthalen-1-ide sulfate

Systemtic Name: hexasodium 8-(8H-naphthalen-8-id-1-ylsulfanyl)-1H-naphthalen-1-ide sulfate Openeye Name: hexasodium 8-(8H-naphthalen-8-id-1-ylsulfanyl)-1H-naphthalen-1-ide sulfate CAS Name: hexasodium 8-(8H-naphthalen-8-id-1-ylthio)-1H-naphthalen-1-ide sulfate IUPAC Name: hexasodium 8-(8H-naphthalen-8-id-1-ylsulfanyl)-1H-naphthalen-1-ide sulfate Traditional Name: hexasodium 8-(8H-naphthalen-8-id-1-ylthio)-1H-naphthalen-1-ide sulfate Formula: C40H24Na6O4S3 MolecularWeight: 802.74978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C([C-]=C1)C(=CC=C2)SC3=CC=CC4=C3[C-]=CC=C4.C1=CC2=C([C-]=C1)C(=CC=C2)SC3=CC=CC4=C3[C-]=CC=C4.[O-]S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C([C-]=C1)C(=CC=C2)SC3=CC=CC4=C3[C-]=CC=C4.C1=CC2=C([C-]=C1)C(=CC=C2)SC3=CC=CC4=C3[C-]=CC=C4.[O-]S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/2C20H12S.6Na.H2O4S/c2*1-3-11-17-15(7-1)9-5-13-19(17)21-20-14-6-10-16-8-2-4-12-18(16)20;;;;;;;1-5(2,3)4/h2*1-10,13-14H;;;;;;;(H2,1,2,3,4)/q2*-2;6*+1;/p-2