(2,4-dichlorophenyl)methyl 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate

Systemtic Name: (2,4-dichlorophenyl)methyl 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: (2,4-dichlorophenyl)methyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid (2,4-dichlorophenyl)methyl ester IUPAC Name: (2,4-dichlorophenyl)methyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid (2,4-dichlorobenzyl) ester Formula: C26H16Cl2O3S MolecularWeight: 479.37444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)OCC5=C(C=C(C=C5)Cl)Cl)C=CC=C4C2=O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)OCC5=C(C=C(C=C5)Cl)Cl)C=CC=C4C2=O

InChI

InChI=1S/C26H16Cl2O3S/c27-16-9-8-15(22(28)12-16)13-31-24(29)14-32-23-11-10-18-17-4-1-2-5-19(17)26(30)21-7-3-6-20(23)25(18)21/h1-12H,13-14H2