disodium 1,4-bis[4-(phenylsulfonyloxy)butan-2-ylimino]anthracene-9,10-diolate

Systemtic Name: disodium 1,4-bis[4-(phenylsulfonyloxy)butan-2-ylimino]anthracene-9,10-diolate Openeye Name: disodium 1,4-bis[[3-(benzenesulfonyloxy)-1-methyl-propyl]imino]anthracene-9,10-diolate CAS Name: disodium 1,4-bis[4-(benzenesulfonyloxy)butan-2-ylimino]anthracene-9,10-diolate IUPAC Name: disodium 1,4-bis[4-(benzenesulfonyloxy)butan-2-ylimino]anthracene-9,10-diolate Traditional Name: disodium 1,4-bis[(3-besyloxy-1-methyl-propyl)imino]anthracene-9,10-diolate Formula: C34H32N2Na2O8S2 MolecularWeight: 706.73602

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOS(=O)(=O)C1=CC=CC=C1)N=C2C=CC(=NC(C)CCOS(=O)(=O)C3=CC=CC=C3)C4=C(C5=CC=CC=C5C(=C24)[O-])[O-].[Na+].[Na+]

Isomeric SMILES

CC(CCOS(=O)(=O)C1=CC=CC=C1)N=C2C=CC(=NC(C)CCOS(=O)(=O)C3=CC=CC=C3)C4=C(C5=CC=CC=C5C(=C24)[O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C34H34N2O8S2.2Na/c1-23(19-21-43-45(39,40)25-11-5-3-6-12-25)35-29-17-18-30(32-31(29)33(37)27-15-9-10-16-28(27)34(32)38)36-24(2)20-22-44-46(41,42)26-13-7-4-8-14-26;;/h3-18,23-24,37-38H,19-22H2,1-2H3;;/q;2*+1/p-2