3,10,18,25-Tetrathiaheptacyclo[14.14.7.2(5,8).2(20,23).1(32,36).0(12,37).0(27,31)]dotetraconta-1(31),5,7,12,14,16(37),20,22,27,29,32,34,36(42),38,40-pentadecaene-40-carboxylic acid

SpectraBase Compound ID	2rOq8zQKBiN
InChI	InChI=1S/C39H34O2S4/c40-39(41)38-34-8-3-9-35(38)37-32-6-2-7-33(37)25-45-21-29-16-12-27(13-17-29)19-43-23-31-5-1-4-30(36(31)34)22-42-18-26-10-14-28(15-11-26)20-44-24-32/h1-17H,18-25H2,(H,40,41)
InChIKey	FKEBVABLWHVCNP-UHFFFAOYSA-N Google Search
Mol Weight	662.9 g/mol
Molecular Formula	C39H34O2S4
Exact Mass	662.144165 g/mol

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SpectraBase Spectrum ID	85GhzoLI4tB
Name	3,10,18,25-tetrathiaheptacyclo[14.14.7.2(5,8).2(20,23).1(32,36)0(12,37).0(27,31)]dotetraconta-1(31),5,7,12,14,16(37),20,22,27,29,32,34,36(42),38,40-pentadecaene-42-carboxylic acid
CAS Registry Number	129678-43-9
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C39H34O2S4
InChI	InChI=1S/C39H34O2S4/c40-39(41)38-34-8-3-9-35(38)37-32-6-2-7-33(37)25-45-21-29-16-12-27(13-17-29)19-43-23-31-5-1-4-30(36(31)34)22-42-18-26-10-14-28(15-11-26)20-44-24-32/h1-17H,18-25H2,(H,40,41)
InChIKey	FKEBVABLWHVCNP-UHFFFAOYSA-N
Molecular Weight	662.939 g/mol
SMILES	OC(c1c2-c3c4CSCc5ccc(CSCc6c(-c1ccc2)c(CSCc1ccc(CSCc3ccc4)cc1)ccc6)cc5)=O
SPLASH	splash10-0ik9-0533009000-30711a7863557e926e1a
Source of Spectrum	K-124-401-12
Synonyms	3,10,18,25-tetrathiaheptacyclo[14.14.7.2(5,8).2(20,23).1(32,36).0(12,37).0(27,31)]dotetraconta-1(31),5,7,12(37),13,15,20,22,27,29,32(42),33,35,38,40-pentadecaene-42-carboxylic acid
Wiley ID	1413652