Di[9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydro-2-anthracenylmethyl]Malonate

SpectraBase Compound ID	K0peCOw9w6s
InChI	InChI=1S/C45H28O4S8/c46-36(48-24-26-9-11-32-34(21-26)40(44-54-17-18-55-44)30-7-3-1-5-28(30)38(32)42-50-13-14-51-42)23-37(47)49-25-27-10-12-33-35(22-27)41(45-56-19-20-57-45)31-8-4-2-6-29(31)39(33)43-52-15-16-53-43/h1-22H,23-25H2
InChIKey	LBBCTNURUYFSKH-UHFFFAOYSA-N Google Search
Mol Weight	889.2 g/mol
Molecular Formula	C45H28O4S8
Exact Mass	887.975329 g/mol

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SpectraBase Spectrum ID	CUnlhUDKMQe
Name	Di[9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydro-2-anthracenylmethyl]Malonate
Alternate Name(s)	Di[9,10-bis(,3-dithiol-2-ylideme)-9,10-dihydro-2-anthracenylmethyl]malonate 1,3-bis[9,10-bis(2H-1,3-dithiol-2-ylidene)-9,10-dihydroanthracen-2-yl]methyl propanedioate bis[[9,10-bis(1,3-dithiol-2-ylidene)-2-anthryl]methyl]propanedioate bis[[9,10-bis(1,3-dithiol-2-ylidene)anthracen-2-yl]methyl]propanedioate propanedioic acid bis[[9,10-bis(1,3-dithiol-2-ylidene)-2-anthracenyl]methyl] ester malonic acid bis[[9,10-bis(1,3-dithiol-2-ylidene)-2-anthryl]methyl]ester bis[[9,10-bis(1,3-dithiol-2-ylidene)-2-anthryl]methyl] propanedioate propanedioic acid bis[[9,10-bis(1,3-dithiol-2-ylidene)-2-anthracenyl]methyl]ester bis[[9,10-bis(1,3-dithiol-2-ylidene)anthracen-2-yl]methyl] propanedioate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C45H28O4S8
InChI	InChI=1S/C45H28O4S8/c46-36(48-24-26-9-11-32-34(21-26)40(44-54-17-18-55-44)30-7-3-1-5-28(30)38(32)42-50-13-14-51-42)23-37(47)49-25-27-10-12-33-35(22-27)41(45-56-19-20-57-45)31-8-4-2-6-29(31)39(33)43-52-15-16-53-43/h1-22H,23-25H2
InChIKey	LBBCTNURUYFSKH-UHFFFAOYSA-N
Molecular Weight	889.195 g/mol
SMILES	C1(c2c(cc(cc2)COC(CC(=O)OCc2cc3C(c4ccccc4C(c3cc2)=C2SC=CS2)=C2SC=CS2)=O)C(c2c1cccc2)=C1SC=CS1)=C1SC=CS1
SPLASH	splash10-000l-0000000090-d10534066a307599acc2
Source of Spectrum	J-68-788-13
Wiley ID	1536299