6-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfo-anthracen-1-yl]amino]cyclohexa-1,3-diene-1,3-disulfonic acid

Systemtic Name: 6-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfo-anthracen-1-yl]amino]cyclohexa-1,3-diene-1,3-disulfonic acid Openeye Name: 6-[(4-amino-9,10-dioxo-3-sulfo-1-anthryl)amino]cyclohexa-1,3-diene-1,3-disulfonic acid CAS Name: 6-[(4-amino-9,10-dioxo-3-sulfo-1-anthracenyl)amino]cyclohexa-1,3-diene-1,3-disulfonic acid IUPAC Name: 6-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]cyclohexa-1,3-diene-1,3-disulfonic acid Traditional Name: 6-[(4-amino-9,10-diketo-3-sulfo-1-anthryl)amino]cyclohexa-1,3-diene-1,3-disulfonic acid Formula: C20H16N2O11S3 MolecularWeight: 556.54284

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=C(C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1C=C(C=C(C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H16N2O11S3/c21-18-15(36(31,32)33)8-13(16-17(18)20(24)11-4-2-1-3-10(11)19(16)23)22-12-6-5-9(34(25,26)27)7-14(12)35(28,29)30/h1-5,7-8,12,22H,6,21H2,(H,25,26,27)(H,28,29,30)(H,31,32,33)