1-azanyl-4-[[3-(2-methylprop-2-enoylamino)phenyl]methylamino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[[3-(2-methylprop-2-enoylamino)phenyl]methylamino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[[3-(2-methylprop-2-enoylamino)phenyl]methylamino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[[3-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl]methylamino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[[3-(2-methylprop-2-enoylamino)phenyl]methylamino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-[(3-methacrylamidobenzyl)amino]anthracene-2-sulfonic acid Formula: C25H21N3O6S MolecularWeight: 491.51574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)NC1=CC=CC(=C1)CNC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

Isomeric SMILES

CC(=C)C(=O)NC1=CC=CC(=C1)CNC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

InChI

InChI=1S/C25H21N3O6S/c1-13(2)25(31)28-15-7-5-6-14(10-15)12-27-18-11-19(35(32,33)34)22(26)21-20(18)23(29)16-8-3-4-9-17(16)24(21)30/h3-11,27H,1,12,26H2,2H3,(H,28,31)(H,32,33,34)