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Acid Blue 74
[CAS# 53026-58-7]

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CAS#: 53026-58-7
Product: Acid Blue 74
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Identification
Name Acid Blue 74
Synonyms Aluminum (2E)-3-Oxo-2-(3-Oxo-5-Sulfo-Indolin-2-Ylidene)Indoline-5-Sulfonic Acid; Aluminum (2E)-3-Oxo-2-(3-Oxo-5-Sulfo-2-Indolinylidene)-5-Indolinesulfonic Acid; Aluminum (2E)-3-Keto-2-(3-Keto-5-Sulfo-Indolin-2-Ylidene)Indoline-5-Sulfonic Acid
Molecular Structure CAS#: 53026-58-7, Acid Blue 74
Molecular Formula C16H10AlN2O8S2
Molecular Weight 449.37
CAS Registry Number 53026-58-7
SMILES C1=C(C=CC4=C1C(\C(=C3\C(C2=CC(=CC=C2N3)[S](O)(=O)=O)=O)N4)=O)[S](O)(=O)=O.[Al+3]
InChI 1S/C16H10N2O8S2.Al/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);/q;+3/b14-13+;
InChIKey KKHVNJFMNFIZLB-IERUDJENSA-N
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