1,3-Naphthalenedisulfonic acid, 7-[2-[4-[[[[4-[2-(4,8-disulfo-2-naphthalenyl)diazenyl]-2-methoxy-5-methylphenyl]amino]carbonyl]amino]-5-methoxy-2-methylphenyl]diazenyl]-, lithium salt (1:4)

HCID 177842003

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Basic information

CAS: 75752-18-0
Standard SMILES: COc1cc(N=Nc2ccc3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c3c2)c(C)cc1NC(=O)Nc1cc(C)c(N=Nc2cc(S(=O)(=O)[O-])c3cccc(S(=O)(=O)[O-])c3c2)cc1OC.[Li+].[Li+].[Li+].[Li+]
InChIKey: XURGNRWZWYYRDH-UHFFFAOYSA-J
Molecular formula: C37H28Li4N6O15S4
Average molar mass: 952.8 g/mol
Monoisotopic mass: 952.1135626

Names & identifiers

Preferred name: 1,3-Naphthalenedisulfonic acid, 7-[2-[4-[[[[4-[2-(4,8-disulfo-2-naphthalenyl)diazenyl]-2-methoxy-5-methylphenyl]amino]carbonyl]amino]-5-methoxy-2-methylphenyl]diazenyl]-, lithium salt (1:4)
IUPAC: tetralithium;3-[[4-[[4-[(6,8-disulfonatonaphthalen-2-yl)diazenyl]-2-methoxy-5-methylphenyl]carbamoylamino]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonate

Names & synonyms

DTXSID5013611391,3-Naphthalenedisulfonic acid, 7-[2-[4-[[[[4-[2-(4,8-disulfo-2-naphthalenyl)diazenyl]-2-methoxy-5-methylphenyl]amino]carbonyl]amino]-5-methoxy-2-methylphenyl]diazenyl]-, lithium salt (1:4)75752-18-0

Database identifiers

CAS: 75752-18-0
PubChem CID: 177842003
DTXSID: DTXSID501361139

Properties

Computed structural properties

Topological polar surface area: 371 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 19
Rotatable bonds: 8
Heavy atoms: 66
Formal charge: 0
Complexity: 2,040

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