2-[3-[[9,10-bis(oxidanylidene)-4-(propan-2-ylamino)anthracen-1-yl]amino]butyl]benzenesulfonic acid

Systemtic Name: 2-[3-[[9,10-bis(oxidanylidene)-4-(propan-2-ylamino)anthracen-1-yl]amino]butyl]benzenesulfonic acid Openeye Name: 2-[3-[[4-(isopropylamino)-9,10-dioxo-1-anthryl]amino]butyl]benzenesulfonic acid CAS Name: 2-[3-[[9,10-dioxo-4-(propan-2-ylamino)-1-anthracenyl]amino]butyl]benzenesulfonic acid IUPAC Name: 2-[3-[[9,10-dioxo-4-(propan-2-ylamino)anthracen-1-yl]amino]butyl]benzenesulfonic acid Traditional Name: 2-[3-[[4-(isopropylamino)-9,10-diketo-1-anthryl]amino]butyl]besylic acid Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C2C(=C(C=C1)NC(C)CCC3=CC=CC=C3S(=O)(=O)O)C(=O)C4=CC=CC=C4C2=O

Isomeric SMILES

CC(C)NC1=C2C(=C(C=C1)NC(C)CCC3=CC=CC=C3S(=O)(=O)O)C(=O)C4=CC=CC=C4C2=O

InChI

InChI=1S/C27H28N2O5S/c1-16(2)28-21-14-15-22(25-24(21)26(30)19-9-5-6-10-20(19)27(25)31)29-17(3)12-13-18-8-4-7-11-23(18)35(32,33)34/h4-11,14-17,28-29H,12-13H2,1-3H3,(H,32,33,34)