disodium 3-[4-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfonato-anthracen-1-yl]amino]phenoxy]sulfonylbenzoate

Systemtic Name: disodium 3-[4-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfonato-anthracen-1-yl]amino]phenoxy]sulfonylbenzoate Openeye Name: disodium 3-[4-[(4-amino-9,10-dioxo-3-sulfonato-1-anthryl)amino]phenoxy]sulfonylbenzoate CAS Name: disodium 3-[4-[(4-amino-9,10-dioxo-3-sulfonato-1-anthracenyl)amino]phenoxy]sulfonylbenzoate IUPAC Name: disodium 3-[4-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]phenoxy]sulfonylbenzoate Traditional Name: disodium 3-[4-[(4-amino-9,10-diketo-3-sulfonato-1-anthryl)amino]phenoxy]sulfonylbenzoate Formula: C27H16N2Na2O10S2 MolecularWeight: 638.53288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)OS(=O)(=O)C5=CC=CC(=C5)C(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)OS(=O)(=O)C5=CC=CC(=C5)C(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]

InChI

InChI=1S/C27H18N2O10S2.2Na/c28-24-21(40(34,35)36)13-20(22-23(24)26(31)19-7-2-1-6-18(19)25(22)30)29-15-8-10-16(11-9-15)39-41(37,38)17-5-3-4-14(12-17)27(32)33;;/h1-13,29H,28H2,(H,32,33)(H,34,35,36);;/q;2*+1/p-2