4-azanyl-5-[(5-azanyl-4-methoxy-2-sulfo-phenyl)diazenyl]-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid

Systemtic Name: 4-azanyl-5-[(5-azanyl-4-methoxy-2-sulfo-phenyl)diazenyl]-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid Openeye Name: 4-amino-5-(5-amino-4-methoxy-2-sulfo-phenyl)azo-3-[(1-sulfo-2-naphthyl)azo]naphthalene-2,7-disulfonic acid CAS Name: 4-amino-5-(5-amino-4-methoxy-2-sulfophenyl)azo-3-[(1-sulfo-2-naphthalenyl)azo]naphthalene-2,7-disulfonic acid IUPAC Name: 4-amino-5-[(5-amino-4-methoxy-2-sulfophenyl)diazenyl]-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid Traditional Name: 4-amino-5-(5-amino-4-methoxy-2-sulfo-phenyl)azo-3-[(1-sulfo-2-naphthyl)azo]naphthalene-2,7-disulfonic acid Formula: C27H22N6O13S4 MolecularWeight: 766.75598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)S(=O)(=O)O)N=NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=C3N)N=NC4=C(C5=CC=CC=C5C=C4)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

COC1=C(C=C(C(=C1)S(=O)(=O)O)N=NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=C3N)N=NC4=C(C5=CC=CC=C5C=C4)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C27H22N6O13S4/c1-46-21-12-22(48(37,38)39)19(11-17(21)28)31-32-20-10-15(47(34,35)36)8-14-9-23(49(40,41)42)26(25(29)24(14)20)33-30-18-7-6-13-4-2-3-5-16(13)27(18)50(43,44)45/h2-12H,28-29H2,1H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)