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

Systemtic Name: (4-bromophenyl)methyl 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: (4-bromophenyl)methyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid (4-bromobenzyl) ester Formula: C26H17BrO3S MolecularWeight: 489.38038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H17BrO3S/c27-17-10-8-16(9-11-17)14-30-24(28)15-31-23-13-12-19-18-4-1-2-5-20(18)26(29)22-7-3-6-21(23)25(19)22/h1-13H,14-15H2