1-azanyl-4-[[3-[(2-chloranylprop-2-enoylamino)methyl]-2,4,6-trimethyl-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[[3-[(2-chloranylprop-2-enoylamino)methyl]-2,4,6-trimethyl-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[3-[(2-chloroprop-2-enoylamino)methyl]-2,4,6-trimethyl-anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[3-[[(2-chloro-1-oxoprop-2-enyl)amino]methyl]-2,4,6-trimethylanilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[3-[(2-chloroprop-2-enoylamino)methyl]-2,4,6-trimethylanilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-[3-[[(2-chloroacryloyl)amino]methyl]-2,4,6-trimethyl-anilino]-9,10-diketo-anthracene-2-sulfonic acid Formula: C27H24ClN3O6S MolecularWeight: 554.01396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1CNC(=O)C(=C)Cl)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1CNC(=O)C(=C)Cl)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)C

InChI

InChI=1S/C27H24ClN3O6S/c1-12-9-13(2)24(14(3)18(12)11-30-27(34)15(4)28)31-19-10-20(38(35,36)37)23(29)22-21(19)25(32)16-7-5-6-8-17(16)26(22)33/h5-10,31H,4,11,29H2,1-3H3,(H,30,34)(H,35,36,37)