disodium [1-[(4-phenylphenyl)carbonylamino]-10-sulfooxy-anthracen-9-yl] hydrogen sulfate

Systemtic Name: disodium [1-[(4-phenylphenyl)carbonylamino]-10-sulfooxy-anthracen-9-yl] hydrogen sulfate Openeye Name: disodium [1-[(4-phenylbenzoyl)amino]-10-sulfooxy-9-anthryl] hydrogen sulfate CAS Name: disodium sulfuric acid [1-[[oxo-(4-phenylphenyl)methyl]amino]-10-sulfooxy-9-anthracenyl] ester IUPAC Name: disodium [1-[(4-phenylbenzoyl)amino]-10-sulfooxyanthracen-9-yl] hydrogen sulfate Traditional Name: disodium sulfuric acid [1-[(4-phenylbenzoyl)amino]-10-sulfoxy-9-anthryl] ester Formula: C27H19NNa2O9S2+2 MolecularWeight: 611.5506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC4=C(C5=CC=CC=C5C(=C43)OS(=O)(=O)O)OS(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC4=C(C5=CC=CC=C5C(=C43)OS(=O)(=O)O)OS(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C27H19NO9S2.2Na/c29-27(19-15-13-18(14-16-19)17-7-2-1-3-8-17)28-23-12-6-11-22-24(23)26(37-39(33,34)35)21-10-5-4-9-20(21)25(22)36-38(30,31)32;;/h1-16H,(H,28,29)(H,30,31,32)(H,33,34,35);;/q;2*+1