O3-[2-[9,10-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-6-[2-(3-ethoxy-3-oxidanylidene-propanoyl)oxyethoxy]anthracen-2-yl]oxyethyl] O1-ethyl propanedioate

Systemtic Name: O3-[2-[9,10-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-6-[2-(3-ethoxy-3-oxidanylidene-propanoyl)oxyethoxy]anthracen-2-yl]oxyethyl] O1-ethyl propanedioate Openeye Name: O3-[2-[[9,10-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-6-[2-(3-ethoxy-3-oxo-propanoyl)oxyethoxy]-2-anthryl]oxy]ethyl] O1-ethyl propanedioate CAS Name: propanedioic acid O3-[2-[[9,10-bis[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]-6-[2-(3-ethoxy-1,3-dioxopropoxy)ethoxy]-2-anthracenyl]oxy]ethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-[9,10-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-6-[2-(3-ethoxy-3-oxopropanoyl)oxyethoxy]anthracen-2-yl]oxyethyl] 1-O-ethyl propanedioate Traditional Name: malonic acid O3-[2-[[9,10-bis[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]-6-[2-(3-ethoxy-3-keto-propanoyl)oxyethoxy]-2-anthryl]oxy]ethyl] ester O1-ethyl ester Formula: C38H40O10S8 MolecularWeight: 913.2382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)OCCOC1=CC2=C(C=C1)C(=C3SC(=C(S3)SC)SC)C4=C(C2=C5SC(=C(S5)SC)SC)C=CC(=C4)OCCOC(=O)CC(=O)OCC

Isomeric SMILES

CCOC(=O)CC(=O)OCCOC1=CC2=C(C=C1)C(=C3SC(=C(S3)SC)SC)C4=C(C2=C5SC(=C(S5)SC)SC)C=CC(=C4)OCCOC(=O)CC(=O)OCC

InChI

InChI=1S/C38H40O10S8/c1-7-43-27(39)19-29(41)47-15-13-45-21-9-11-23-25(17-21)31(33-53-35(49-3)36(50-4)54-33)24-12-10-22(46-14-16-48-30(42)20-28(40)44-8-2)18-26(24)32(23)34-55-37(51-5)38(52-6)56-34/h9-12,17-18H,7-8,13-16,19-20H2,1-6H3