1-azanyl-3-phenyl-4-(2-sulfooxyethylsulfonyl)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-3-phenyl-4-(2-sulfooxyethylsulfonyl)anthracene-2-sulfonic acid Openeye Name: 1-amino-3-phenyl-4-(2-sulfooxyethylsulfonyl)anthracene-2-sulfonic acid CAS Name: 1-amino-3-phenyl-4-(2-sulfooxyethylsulfonyl)-2-anthracenesulfonic acid IUPAC Name: 1-amino-3-phenyl-4-(2-sulfooxyethylsulfonyl)anthracene-2-sulfonic acid Traditional Name: 1-amino-3-phenyl-4-(2-sulfoxyethylsulfonyl)anthracene-2-sulfonic acid Formula: C22H19NO9S3 MolecularWeight: 537.58256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=CC4=CC=CC=C4C=C3C(=C2S(=O)(=O)O)N)S(=O)(=O)CCOS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=CC4=CC=CC=C4C=C3C(=C2S(=O)(=O)O)N)S(=O)(=O)CCOS(=O)(=O)O

InChI

InChI=1S/C22H19NO9S3/c23-20-17-12-15-8-4-5-9-16(15)13-18(17)21(33(24,25)11-10-32-35(29,30)31)19(22(20)34(26,27)28)14-6-2-1-3-7-14/h1-9,12-13H,10-11,23H2,(H,26,27,28)(H,29,30,31)