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2,4-bis(4'-Benzyloxy)-6-{5''-[2'''-(4''''-hydroxypentyl)-1''',3'''-dithian-2'''-yl]pentyl}benzoic acid
SpectraBase Compound ID LlhG6YCpDtH
InChI InChI=1S/C35H44O5S2/c1-27(36)13-11-20-35(41-21-12-22-42-35)19-10-4-9-18-30-23-31(39-25-28-14-5-2-6-15-28)24-32(33(30)34(37)38)40-26-29-16-7-3-8-17-29/h2-3,5-8,14-17,23-24,27,36H,4,9-13,18-22,25-26H2,1H3,(H,37,38)
InChIKey IQHXHQHSTQXIGD-UHFFFAOYSA-N
Mol Weight 608.9 g/mol
Molecular Formula C35H44O5S2
Exact Mass 608.263017 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELeqWWEde0k
Name 2,4-bis(4'-Benzyloxy)-6-{5''-[2'''-(4''''-hydroxypentyl)-1''',3'''-dithian-2'''-yl]pentyl}benzoic acid
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Formula C35H44O5S2
InChI InChI=1S/C35H44O5S2/c1-27(36)13-11-20-35(41-21-12-22-42-35)19-10-4-9-18-30-23-31(39-25-28-14-5-2-6-15-28)24-32(33(30)34(37)38)40-26-29-16-7-3-8-17-29/h2-3,5-8,14-17,23-24,27,36H,4,9-13,18-22,25-26H2,1H3,(H,37,38)
InChIKey IQHXHQHSTQXIGD-UHFFFAOYSA-N
Molecular Weight 608.852 g/mol
SMILES OC(CCCC1(CCCCCc2cc(cc(c2C(=O)O)OCc2ccccc2)OCc2ccccc2)SCCCS1)C
SPLASH splash10-052f-9500000000-877ecb8ed10e6a86d82d
Source of Spectrum AH-132-809-10
Synonyms 2,4-bis(Benzyloxy)-6-{5''-[2'''-(4''''-hydroxypentyl)-1''',3'''-dithian-2'''-yl]pentyl}benzoic acid 2,4-bis(benzyloxy)-6-{5-[2-(4-hydroxypentyl)-1,3-dithian-2-yl]pentyl}benzoic acid 2,4-Dibenzoxy-6-[5-[2-(4-hydroxypentyl)-1,3-dithian-2-yl]pentyl]benzoic acid 2,4-Dibenzyloxy-6-[5-[2-(4-hydroxypentyl)-1,3-dithian-2-yl]pentyl]benzoic acid 2-[5-[2-(4-hydroxypentyl)-1,3-dithian-2-yl]pentyl]-4,6-bis(phenylmethoxy)benzoic acid 2-[5-[2-(4-oxidanylpentyl)-1,3-dithian-2-yl]pentyl]-4,6-bis(phenylmethoxy)benzoic acid
Wiley ID 849874