1-azanyl-4-[[3,5-bis[(2-chloranylethanoylamino)methyl]-2,4,6-trimethyl-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[[3,5-bis[(2-chloranylethanoylamino)methyl]-2,4,6-trimethyl-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[3,5-bis[[(2-chloroacetyl)amino]methyl]-2,4,6-trimethyl-anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[3,5-bis[[(2-chloro-1-oxoethyl)amino]methyl]-2,4,6-trimethylanilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[3,5-bis[[(2-chloroacetyl)amino]methyl]-2,4,6-trimethylanilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-[3,5-bis[[(2-chloroacetyl)amino]methyl]-2,4,6-trimethyl-anilino]-9,10-diketo-anthracene-2-sulfonic acid Formula: C29H28Cl2N4O7S MolecularWeight: 647.52622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28Cl2N4O7S/c1-13-18(11-33-22(36)9-30)14(2)27(15(3)19(13)12-34-23(37)10-31)35-20-8-21(43(40,41)42)26(32)25-24(20)28(38)16-6-4-5-7-17(16)29(25)39/h4-8,35H,9-12,32H2,1-3H3,(H,33,36)(H,34,37)(H,40,41,42)