3-[[4-[4-[(1,8-Dihydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid

HCID 409752

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Basic information

CAS: 25180-27-2
Standard SMILES: Cc1cc(-c2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(O)c4c3O)c(C)c2)ccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c2c1O
InChIKey: ROGNBMSOQTYMME-UHFFFAOYSA-N
Molecular formula: C34H26N4O16S4
Average molar mass: 874.9 g/mol
Monoisotopic mass: 874.02266545

Names & identifiers

Preferred name: 3-[[4-[4-[(1,8-Dihydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid
IUPAC: 3-[[4-[4-[(1,8-dihydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid

Names & synonyms

DTXSID7085970425180-27-23,3'-[(3,3'-Dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(diazene-2,1-diyl)]bis(4,5-dihydroxynaphthalene-2,7-disulfonic acid)3-[[4-[4-[(1,8-Dihydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid

Database identifiers

CAS: 25180-27-2
PubChem CID: 409752
DTXSID: DTXSID70859704
EC Number: 607-592-5

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 381 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 20
Rotatable bonds: 9
Heavy atoms: 58
Formal charge: 0
Complexity: 1,840

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