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(2Z)-2-(1,2-Dihydro-2-oxo-5-sulfo-3H-indol-3-ylidene)-2-[(4-methylphenyl)sulfanyl]ethanoic Acid
SpectraBase Compound ID H94Q6omzf6H
InChI InChI=1S/C17H13NO6S2/c1-9-2-4-10(5-3-9)25-15(17(20)21)14-12-8-11(26(22,23)24)6-7-13(12)18-16(14)19/h2-8H,1H3,(H,18,19)(H,20,21)(H,22,23,24)/b15-14-
InChIKey HEXHEPSKQOTOOM-PFONDFGASA-N
Mol Weight 391.41 g/mol
Molecular Formula C17H13NO6S2
Exact Mass 391.018429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EyiMbTk8WX2
Name (2Z)-2-(1,2-Dihydro-2-oxo-5-sulfo-3H-indol-3-ylidene)-2-[(4-methylphenyl)sulfanyl]ethanoic Acid
Alternate Name(s) (Z)-2-(2-oxo-5-sulfoindolin-3-ylidene)-2-(p-tolylthio)acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13NO6S2
InChI InChI=1S/C17H13NO6S2/c1-9-2-4-10(5-3-9)25-15(17(20)21)14-12-8-11(26(22,23)24)6-7-13(12)18-16(14)19/h2-8H,1H3,(H,18,19)(H,20,21)(H,22,23,24)/b15-14-
InChIKey HEXHEPSKQOTOOM-PFONDFGASA-N
Molecular Weight 391.412 g/mol
SMILES N1c2ccc(cc2\C(=C/(C(=O)O)Sc2ccc(cc2)C)C1=O)S(=O)(=O)O
SPLASH splash10-0006-0029000000-ce1da7c0629d3fddf0ad
Source of Spectrum H-95-1476-11b
Wiley ID 1784414