bis[[9,10-bis(1,3-dithiol-2-ylidene)anthracen-2-yl]methyl] propanedioate

Systemtic Name: bis[[9,10-bis(1,3-dithiol-2-ylidene)anthracen-2-yl]methyl] propanedioate Openeye Name: bis[[9,10-bis(1,3-dithiol-2-ylidene)-2-anthryl]methyl] propanedioate CAS Name: propanedioic acid bis[[9,10-bis(1,3-dithiol-2-ylidene)-2-anthracenyl]methyl] ester IUPAC Name: bis[[9,10-bis(1,3-dithiol-2-ylidene)anthracen-2-yl]methyl] propanedioate Traditional Name: malonic acid bis[[9,10-bis(1,3-dithiol-2-ylidene)-2-anthryl]methyl] ester Formula: C45H28O4S8 MolecularWeight: 889.22142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3SC=CS3)C4=C(C2=C5SC=CS5)C=C(C=C4)COC(=O)CC(=O)OCC6=CC7=C(C=C6)C(=C8SC=CS8)C9=CC=CC=C9C7=C1SC=CS1

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3SC=CS3)C4=C(C2=C5SC=CS5)C=C(C=C4)COC(=O)CC(=O)OCC6=CC7=C(C=C6)C(=C8SC=CS8)C9=CC=CC=C9C7=C1SC=CS1

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