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

Systemtic Name: 1-azanyl-9,10-bis(oxidanylidene)-4-[[3-(2-sulfosulfanylethylsulfonyl)phenyl]amino]anthracene-2-sulfonic acid Openeye Name: 1-amino-9,10-dioxo-4-[3-(2-sulfosulfanylethylsulfonyl)anilino]anthracene-2-sulfonic acid CAS Name: 1-amino-9,10-dioxo-4-[3-[2-(sulfothio)ethylsulfonyl]anilino]-2-anthracenesulfonic acid IUPAC Name: 1-amino-9,10-dioxo-4-[3-(2-sulfosulfanylethylsulfonyl)anilino]anthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-[3-[2-(sulfothio)ethylsulfonyl]anilino]anthracene-2-sulfonic acid Formula: C22H18N2O10S4 MolecularWeight: 598.64572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H18N2O10S4/c23-20-17(37(29,30)31)11-16(18-19(20)22(26)15-7-2-1-6-14(15)21(18)25)24-12-4-3-5-13(10-12)36(27,28)9-8-35-38(32,33)34/h1-7,10-11,24H,8-9,23H2,(H,29,30,31)(H,32,33,34)