7-[[3-methoxy-4-[[2-methoxy-4-[(3-sulfophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]naphthalene-1,3-disulfonic acid

Systemtic Name: 7-[[3-methoxy-4-[[2-methoxy-4-[(3-sulfophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]naphthalene-1,3-disulfonic acid Openeye Name: 7-[3-methoxy-4-[[2-methoxy-4-(3-sulfophenyl)azo-phenyl]carbamoylamino]phenyl]azonaphthalene-1,3-disulfonic acid CAS Name: 7-[3-methoxy-4-[[[2-methoxy-4-(3-sulfophenyl)azoanilino]-oxomethyl]amino]phenyl]azonaphthalene-1,3-disulfonic acid IUPAC Name: 7-[[3-methoxy-4-[[2-methoxy-4-[(3-sulfophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]naphthalene-1,3-disulfonic acid Traditional Name: 7-[3-methoxy-4-[[2-methoxy-4-(3-sulfophenyl)azo-phenyl]carbamoylamino]phenyl]azonaphthalene-1,3-disulfonic acid Formula: C31H26N6O12S3 MolecularWeight: 770.76614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)O)NC(=O)NC3=C(C=C(C=C3)N=NC4=CC5=C(C=C(C=C5C=C4)S(=O)(=O)O)S(=O)(=O)O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)O)NC(=O)NC3=C(C=C(C=C3)N=NC4=CC5=C(C=C(C=C5C=C4)S(=O)(=O)O)S(=O)(=O)O)OC

InChI

InChI=1S/C31H26N6O12S3/c1-48-28-15-21(36-34-19-4-3-5-23(13-19)50(39,40)41)8-10-26(28)32-31(38)33-27-11-9-22(16-29(27)49-2)37-35-20-7-6-18-12-24(51(42,43)44)17-30(25(18)14-20)52(45,46)47/h3-17H,1-2H3,(H2,32,33,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)