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D,L-4,4'-biphenylylene-bis{[(thiobenzoyl)thio]acetic acid}
SpectraBase Compound ID qJWduxq1ds
InChI InChI=1S/C30H22O4S4/c31-27(32)25(37-29(35)23-7-3-1-4-8-23)21-15-11-19(12-16-21)20-13-17-22(18-14-20)26(28(33)34)38-30(36)24-9-5-2-6-10-24/h1-18,25-26H,(H,31,32)(H,33,34)
InChIKey GOCBWJRWEHCENN-UHFFFAOYSA-N
Mol Weight 574.7 g/mol
Molecular Formula C30H22O4S4
Exact Mass 574.040094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1PahZJK29NZ
Name D,L-4,4'-biphenylylene-bis{[(thiobenzoyl)thio]acetic acid}
CAS Registry Number 106064-78-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H22O4S4
InChI InChI=1S/C30H22O4S4/c31-27(32)25(37-29(35)23-7-3-1-4-8-23)21-15-11-19(12-16-21)20-13-17-22(18-14-20)26(28(33)34)38-30(36)24-9-5-2-6-10-24/h1-18,25-26H,(H,31,32)(H,33,34)
InChIKey GOCBWJRWEHCENN-UHFFFAOYSA-N
Molecular Weight 574.742 g/mol
SMILES OC(C(c1ccc(-c2ccc(C(C(=O)O)SC(=S)c3ccccc3)cc2)cc1)SC(=S)c1ccccc1)=O
SPLASH splash10-05di-4900000000-d0fc3e1958a4e4522e56
Source of Spectrum K-120-418-16
Synonyms (benzothioylsulfanyl){4'-[(benzothioylsulfanyl)(carboxy)methyl][1,1'-biphenyl]-4-yl}acetic acid
Wiley ID 1408016