1-azanyl-6-ethylsulfonyl-9,10-bis(oxidanylidene)-4-phenylazanyl-anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-6-ethylsulfonyl-9,10-bis(oxidanylidene)-4-phenylazanyl-anthracene-2-sulfonic acid Openeye Name: 1-amino-4-anilino-6-ethylsulfonyl-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-anilino-6-ethylsulfonyl-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-anilino-6-ethylsulfonyl-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-anilino-6-esyl-9,10-diketo-anthracene-2-sulfonic acid Formula: C22H18N2O7S2 MolecularWeight: 486.51752

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)C(=O)C3=C(C2=O)C(=CC(=C3N)S(=O)(=O)O)NC4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)C(=O)C3=C(C2=O)C(=CC(=C3N)S(=O)(=O)O)NC4=CC=CC=C4

InChI

InChI=1S/C22H18N2O7S2/c1-2-32(27,28)13-8-9-14-15(10-13)22(26)18-16(24-12-6-4-3-5-7-12)11-17(33(29,30)31)20(23)19(18)21(14)25/h3-11,24H,2,23H2,1H3,(H,29,30,31)