(2-acetamido-3-chloranyl-10-sulfooxy-9,10-dihydroanthracen-9-yl) hydrogen sulfate

Systemtic Name: (2-acetamido-3-chloranyl-10-sulfooxy-9,10-dihydroanthracen-9-yl) hydrogen sulfate Openeye Name: (2-acetamido-3-chloro-10-sulfooxy-9,10-dihydroanthracen-9-yl) hydrogen sulfate CAS Name: sulfuric acid (2-acetamido-3-chloro-10-sulfooxy-9,10-dihydroanthracen-9-yl) ester IUPAC Name: (2-acetamido-3-chloro-10-sulfooxy-9,10-dihydroanthracen-9-yl) hydrogen sulfate Traditional Name: sulfuric acid (2-acetamido-3-chloro-10-sulfoxy-9,10-dihydroanthracen-9-yl) ester Formula: C16H14ClNO9S2 MolecularWeight: 463.86666

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C2C(C3=CC=CC=C3C(C2=C1)OS(=O)(=O)O)OS(=O)(=O)O)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C2C(C3=CC=CC=C3C(C2=C1)OS(=O)(=O)O)OS(=O)(=O)O)Cl

InChI

InChI=1S/C16H14ClNO9S2/c1-8(19)18-14-7-12-11(6-13(14)17)15(26-28(20,21)22)9-4-2-3-5-10(9)16(12)27-29(23,24)25/h2-7,15-16H,1H3,(H,18,19)(H,20,21,22)(H,23,24,25)