31H,33H-1,34:4,6:9,12:16,19:22,24:27,30-Hexametheno-13H,15H-tetrabenzo[f,i,t,w][1,15]dithiacyclooctacosin, 2,3,7,8,20,21,25,26-octahydro-, 14,14,32,32-tetraoxide

SpectraBase Compound ID	GUmduPFKU7f
InChI	InChI=1S/C48H40O4S2/c49-53(50)25-29-1-13-41-33(17-29)5-9-37-21-38-10-6-35-19-31(3-15-42(35)46(38)23-45(37)41)27-54(51,52)28-32-4-16-44-36(20-32)8-12-40-22-39-11-7-34-18-30(26-53)2-14-43(34)47(39)24-48(40)44/h1-4,13-24H,5-12,25-28H2
InChIKey	ZIQXZABZXGUXHE-UHFFFAOYSA-N Google Search
Mol Weight	745.0 g/mol
Molecular Formula	C48H40O4S2
Exact Mass	744.236802 g/mol

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SpectraBase Spectrum ID	8Zv3wxbNpIT
Name	31H,33H-1,34:4,6:9,12:16,19:22,24:27,30-Hexametheno-13H,15H-tetrabenzo[f,i,t,w][1,15]dithiacyclooctacosin, 2,3,7,8,20,21,25,26-octahydro-, 14,14,32,32-tetraoxide
CAS Registry Number	87774-38-7
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C48H40O4S2
InChI	InChI=1S/C48H40O4S2/c49-53(50)25-29-1-13-41-33(17-29)5-9-37-21-38-10-6-35-19-31(3-15-42(35)46(38)23-45(37)41)27-54(51,52)28-32-4-16-44-36(20-32)8-12-40-22-39-11-7-34-18-30(26-53)2-14-43(34)47(39)24-48(40)44/h1-4,13-24H,5-12,25-28H2
InChIKey	ZIQXZABZXGUXHE-UHFFFAOYSA-N
Molecular Weight	744.964 g/mol
SMILES	C1S(=O)(=O)Cc2ccc3-c4cc5-c6ccc(CS(Cc7cc8c(-c9cc-%10c(CCc%11cc1ccc%10%11)cc9CC8)cc7)(=O)=O)cc6CCc5cc4CCc3c2
SPLASH	splash10-0bt9-0009000000-900f0bf97d52d7f83f3f
Source of Spectrum	K-116-3499-0
Synonyms	17,39-dithiaundecacyclo[39.3.1.1(4,8).1(11,15).1(19,23).1(26,30).1(33,37).0(5,44).0(7,12).0(22,27).0(29,34)]pentaconta-1(45),4(50),5,7,11(49),12,14,19(48),20,22,26(47),27,29,33(46),34,36,41,43-octadecaene 17,17,39,39-tetraoxide 6,7,9,10,23,24,26,27-Octahydro-2,19-dithia[3.3](4,12)dibenzo[a,j]anthracenophane-2,2,19,19-tetraoxide
Wiley ID	1416214