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

Systemtic Name: 7-[[4-[[2-methoxy-4-[(3-sulfophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]naphthalene-1,3-disulfonic acid Openeye Name: 7-[4-[[2-methoxy-4-(3-sulfophenyl)azo-phenyl]carbamoylamino]phenyl]azonaphthalene-1,3-disulfonic acid CAS Name: 7-[4-[[[2-methoxy-4-(3-sulfophenyl)azoanilino]-oxomethyl]amino]phenyl]azonaphthalene-1,3-disulfonic acid IUPAC Name: 7-[[4-[[2-methoxy-4-[(3-sulfophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]naphthalene-1,3-disulfonic acid Traditional Name: 7-[4-[[2-methoxy-4-(3-sulfophenyl)azo-phenyl]carbamoylamino]phenyl]azonaphthalene-1,3-disulfonic acid Formula: C30H24N6O11S3 MolecularWeight: 740.74016

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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=CC=C(C=C3)N=NC4=CC5=C(C=C(C=C5C=C4)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C30H24N6O11S3/c1-47-28-16-23(36-34-21-3-2-4-24(14-21)48(38,39)40)11-12-27(28)32-30(37)31-19-7-9-20(10-8-19)33-35-22-6-5-18-13-25(49(41,42)43)17-29(26(18)15-22)50(44,45)46/h2-17H,1H3,(H2,31,32,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)