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

Systemtic Name: 1-azanyl-9,10-bis(oxidanylidene)-4-[[4-(3-sulfobutylamino)phenyl]amino]anthracene-2-sulfonic acid Openeye Name: 1-amino-9,10-dioxo-4-[4-(3-sulfobutylamino)anilino]anthracene-2-sulfonic acid CAS Name: 1-amino-9,10-dioxo-4-[4-(3-sulfobutylamino)anilino]-2-anthracenesulfonic acid IUPAC Name: 1-amino-9,10-dioxo-4-[4-(3-sulfobutylamino)anilino]anthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-[4-(3-sulfobutylamino)anilino]anthracene-2-sulfonic acid Formula: C24H23N3O8S2 MolecularWeight: 545.58472

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(CCNC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C24H23N3O8S2/c1-13(36(30,31)32)10-11-26-14-6-8-15(9-7-14)27-18-12-19(37(33,34)35)22(25)21-20(18)23(28)16-4-2-3-5-17(16)24(21)29/h2-9,12-13,26-27H,10-11,25H2,1H3,(H,30,31,32)(H,33,34,35)