2-azanyl-5-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfo-anthracen-1-yl]amino]benzene-1,4-disulfonic acid

Systemtic Name: 2-azanyl-5-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfo-anthracen-1-yl]amino]benzene-1,4-disulfonic acid Openeye Name: 2-amino-5-[(4-amino-9,10-dioxo-3-sulfo-1-anthryl)amino]benzene-1,4-disulfonic acid CAS Name: 2-amino-5-[(4-amino-9,10-dioxo-3-sulfo-1-anthracenyl)amino]benzene-1,4-disulfonic acid IUPAC Name: 2-amino-5-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]benzene-1,4-disulfonic acid Traditional Name: 2-amino-5-[(4-amino-9,10-diketo-3-sulfo-1-anthryl)amino]benzene-1,4-disulfonic acid Formula: C20H15N3O11S3 MolecularWeight: 569.5416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=C(C=C(C(=C4)S(=O)(=O)O)N)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=C(C=C(C(=C4)S(=O)(=O)O)N)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C20H15N3O11S3/c21-10-5-14(36(29,30)31)11(6-13(10)35(26,27)28)23-12-7-15(37(32,33)34)18(22)17-16(12)19(24)8-3-1-2-4-9(8)20(17)25/h1-7,23H,21-22H2,(H,26,27,28)(H,29,30,31)(H,32,33,34)