5-azanyl-8-bromanyl-9,10-bis(oxidanylidene)anthracene-1,4,6-trisulfonic acid

Systemtic Name: 5-azanyl-8-bromanyl-9,10-bis(oxidanylidene)anthracene-1,4,6-trisulfonic acid Openeye Name: 5-amino-8-bromo-9,10-dioxo-anthracene-1,4,6-trisulfonic acid CAS Name: 5-amino-8-bromo-9,10-dioxoanthracene-1,4,6-trisulfonic acid IUPAC Name: 5-amino-8-bromo-9,10-dioxoanthracene-1,4,6-trisulfonic acid Traditional Name: 5-amino-8-bromo-9,10-diketo-anthracene-1,4,6-trisulfonic acid Formula: C14H8BrNO11S3 MolecularWeight: 542.31242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1S(=O)(=O)O)C(=O)C3=C(C=C(C(=C3C2=O)N)S(=O)(=O)O)Br)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C2C(=C1S(=O)(=O)O)C(=O)C3=C(C=C(C(=C3C2=O)N)S(=O)(=O)O)Br)S(=O)(=O)O

InChI

InChI=1S/C14H8BrNO11S3/c15-4-3-7(30(25,26)27)12(16)11-8(4)13(17)9-5(28(19,20)21)1-2-6(29(22,23)24)10(9)14(11)18/h1-3H,16H2,(H,19,20,21)(H,22,23,24)(H,25,26,27)