5-Methoxy-7-sulfo-4-(trimethylazaniumyl)naphthalene-2-sulfonate

HCID 454580

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Basic information

CAS: 144790-73-8
Standard SMILES: COc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)[O-])cc([N+](C)(C)C)c12
InChIKey: ZAWMXJDZORMLQV-UHFFFAOYSA-N
Molecular formula: C14H17NO7S2
Average molar mass: 375.4 g/mol
Monoisotopic mass: 375.04464423

Names & identifiers

Preferred name: 5-Methoxy-7-sulfo-4-(trimethylazaniumyl)naphthalene-2-sulfonate
IUPAC: 5-methoxy-7-sulfo-4-(trimethylazaniumyl)naphthalene-2-sulfonate

Names & synonyms

144790-73-85-methoxy-7-sulfo-4-(trimethylazaniumyl)naphthalene-2-sulfonateCHEMBL145177DTXSID003323934-NNNtriMe-5MeO-Naphth-2,7diSO3H(8-methoxy-3,6-disulfo-1-naphthyl)-trimethyl-ammonium1-Naphthalenaminium, 8-methoxy-N,N,N-trimethyl-3,6-disulfo-

Database identifiers

CAS: 144790-73-8
PubChem CID: 454580
DTXSID: DTXSID00332393
ChEMBL: CHEMBL145177
Nikkaji: J527.787F

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 138 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 643

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