[2-(1-azanyl-9,10-disulfooxy-anthracen-2-yl)-5-sulfooxy-naphtho[3,2-f][1,3]benzoxazol-10-yl] hydrogen sulfate

Systemtic Name: [2-(1-azanyl-9,10-disulfooxy-anthracen-2-yl)-5-sulfooxy-naphtho[3,2-f][1,3]benzoxazol-10-yl] hydrogen sulfate Openeye Name: [2-(1-amino-9,10-disulfooxy-2-anthryl)-5-sulfooxy-naphtho[3,2-f][1,3]benzoxazol-10-yl] hydrogen sulfate CAS Name: sulfuric acid [2-(1-amino-9,10-disulfooxy-2-anthracenyl)-5-sulfooxy-10-naphtho[3,2-f][1,3]benzoxazolyl] ester IUPAC Name: [2-(1-amino-9,10-disulfooxyanthracen-2-yl)-5-sulfooxynaphtho[3,2-f][1,3]benzoxazol-10-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-(1-amino-9,10-disulfoxy-2-anthryl)-5-sulfoxy-naphtho[3,2-f][1,3]benzoxazol-10-yl] ester Formula: C29H18N2O17S4 MolecularWeight: 794.71642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC(=C(C3=C2OS(=O)(=O)O)N)C4=NC5=CC6=C(C7=CC=CC=C7C(=C6C=C5O4)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC(=C(C3=C2OS(=O)(=O)O)N)C4=NC5=CC6=C(C7=CC=CC=C7C(=C6C=C5O4)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C29H18N2O17S4/c30-24-18(10-9-17-23(24)28(48-52(41,42)43)16-8-4-3-7-15(16)25(17)45-49(32,33)34)29-31-21-11-19-20(12-22(21)44-29)27(47-51(38,39)40)14-6-2-1-5-13(14)26(19)46-50(35,36)37/h1-12H,30H2,(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)