1-azanyl-9,10-bis(oxidanylidene)-4-[[3-(2-sulfooxyethylsulfonylmethyl)phenyl]amino]anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-9,10-bis(oxidanylidene)-4-[[3-(2-sulfooxyethylsulfonylmethyl)phenyl]amino]anthracene-2-sulfonic acid Openeye Name: 1-amino-9,10-dioxo-4-[3-(2-sulfooxyethylsulfonylmethyl)anilino]anthracene-2-sulfonic acid CAS Name: 1-amino-9,10-dioxo-4-[3-(2-sulfooxyethylsulfonylmethyl)anilino]-2-anthracenesulfonic acid IUPAC Name: 1-amino-9,10-dioxo-4-[3-(2-sulfooxyethylsulfonylmethyl)anilino]anthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-[3-(2-sulfoxyethylsulfonylmethyl)anilino]anthracene-2-sulfonic acid Formula: C23H20N2O11S3 MolecularWeight: 596.6067

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=CC(=C4)CS(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=CC(=C4)CS(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C23H20N2O11S3/c24-21-18(38(30,31)32)11-17(19-20(21)23(27)16-7-2-1-6-15(16)22(19)26)25-14-5-3-4-13(10-14)12-37(28,29)9-8-36-39(33,34)35/h1-7,10-11,25H,8-9,12,24H2,(H,30,31,32)(H,33,34,35)