[4-[2-(1,3-benzodithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]phenyl] ethanoate

Systemtic Name: [4-[2-(1,3-benzodithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]phenyl] ethanoate Openeye Name: [4-[2-(1,3-benzodithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]phenyl] acetate CAS Name: acetic acid [4-[2-(1,3-benzodithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]phenyl] ester IUPAC Name: [4-[2-(1,3-benzodithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]phenyl] acetate Traditional Name: acetic acid [4-[2-(1,3-benzodithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]phenyl] ester Formula: C19H14O2S4 MolecularWeight: 402.57326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C2SC3=CC=CC=C3S2)S1)C4=CC=C(C=C4)OC(=O)C

Isomeric SMILES

CC1=C(SC(=C2SC3=CC=CC=C3S2)S1)C4=CC=C(C=C4)OC(=O)C

InChI

InChI=1S/C19H14O2S4/c1-11-17(13-7-9-14(10-8-13)21-12(2)20)25-18(22-11)19-23-15-5-3-4-6-16(15)24-19/h3-10H,1-2H3