Product Name: 4-Hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid (CAS NO.25251-42-7)
Molecular Formula: C16H13NO7S2
Molecular Weight: 395.41g/mol
Mol File: 25251-42-7.mol
EINECS: 246-758-8
Density: 1.692 g/cm3
Surface Tension: 88.1 dyne/cm
XLogP3-AA: 0.1
H-Bond Donor: 4
H-Bond Acceptor: 8
Structure Descriptors of 4-Hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid (CAS NO.25251-42-7):
IUPAC Name: 4-hydroxy-6-(3-sulfoanilino)naphthalene-2-sulfonic acid
Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)O)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)O
InChI: InChI=1S/C16H13NO7S2/c18-16-9-14(26(22,23)24)6-10-4-5-12(8-15(10)16)17-11-2-1-3-13(7-11)25(19,20)21/h1-9,17-18H,(H,19,20,21)(H,22,23,24)
InChIKey: LSDXXYNYKPLONE-UHFFFAOYSA-N
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