O1-[[9,10-bis(1,3-dithiol-2-ylidene)anthracen-2-yl]methyl] O3-ethyl 2-bromanylpropanedioate

Systemtic Name: O1-[[9,10-bis(1,3-dithiol-2-ylidene)anthracen-2-yl]methyl] O3-ethyl 2-bromanylpropanedioate Openeye Name: O1-[[9,10-bis(1,3-dithiol-2-ylidene)-2-anthryl]methyl] O3-ethyl 2-bromopropanedioate CAS Name: 2-bromopropanedioic acid O1-[[9,10-bis(1,3-dithiol-2-ylidene)-2-anthracenyl]methyl] ester O3-ethyl ester IUPAC Name: 1-O-[[9,10-bis(1,3-dithiol-2-ylidene)anthracen-2-yl]methyl] 3-O-ethyl 2-bromopropanedioate Traditional Name: 2-bromomalonic acid O1-[[9,10-bis(1,3-dithiol-2-ylidene)-2-anthryl]methyl] ester O3-ethyl ester Formula: C26H19BrO4S4 MolecularWeight: 603.59066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC1=CC2=C(C=C1)C(=C3SC=CS3)C4=CC=CC=C4C2=C5SC=CS5)Br

Isomeric SMILES

CCOC(=O)C(C(=O)OCC1=CC2=C(C=C1)C(=C3SC=CS3)C4=CC=CC=C4C2=C5SC=CS5)Br

InChI

InChI=1S/C26H19BrO4S4/c1-2-30-23(28)22(27)24(29)31-14-15-7-8-18-19(13-15)21(26-34-11-12-35-26)17-6-4-3-5-16(17)20(18)25-32-9-10-33-25/h3-13,22H,2,14H2,1H3