6-Amino-5-((2-sulpho-4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-1-sulphonic acid

HCID 104183

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Basic information

CAS: 52371-97-8
Standard SMILES: Nc1ccc2c(S(=O)(=O)O)cccc2c1N=Nc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1S(=O)(=O)O
InChIKey: UICXRGMIUUBVMW-UHFFFAOYSA-N
Molecular formula: C18H17N3O12S4
Average molar mass: 595.6 g/mol
Monoisotopic mass: 594.96950768

Names & identifiers

Preferred name: 6-Amino-5-((2-sulpho-4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-1-sulphonic acid
IUPAC: 6-amino-5-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonic acid
English name: 6-amino-5-[[2-sulpho-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-1-sulphonic acid
Molecular formula: C18H17N3O12S4
Molecular weight: 595.6

Names & synonyms

52371-97-8EINECS 257-883-26-Amino-5-((2-sulpho-4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-1-sulphonic acidSCHEMBL13880662DTXSID70868912UICXRGMIUUBVMW-UHFFFAOYSA-NNS000555076-Amino-5-({2-sulfo-4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazenyl)naphthalene-1-sulfonic acid6-Amino-5-[[2-sulfo-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-1-naphthalenesulfonic acid6-amino-5-[[2-sulpho-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-1-sulphonic acid1-Naphthalenesulfonic acid, 6-amino-5-[2-[2-sulfo-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-

Database identifiers

CAS: 52371-97-8
PubChem CID: 104183
DTXSID: DTXSID70868912
EC Number: 257-883-2
Nikkaji: J295.649G

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 291 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 15
Rotatable bonds: 9
Heavy atoms: 37
Formal charge: 0
Complexity: 1,260

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