2-(4-chloranylphenoxy)ethyl 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate

Systemtic Name: 2-(4-chloranylphenoxy)ethyl 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: 2-(4-chlorophenoxy)ethyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid 2-(4-chlorophenoxy)ethyl ester IUPAC Name: 2-(4-chlorophenoxy)ethyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid 2-(4-chlorophenoxy)ethyl ester Formula: C27H19ClO4S MolecularWeight: 474.95536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)OCCOC5=CC=C(C=C5)Cl)C=CC=C4C2=O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)OCCOC5=CC=C(C=C5)Cl)C=CC=C4C2=O

InChI

InChI=1S/C27H19ClO4S/c28-17-8-10-18(11-9-17)31-14-15-32-25(29)16-33-24-13-12-20-19-4-1-2-5-21(19)27(30)23-7-3-6-22(24)26(20)23/h1-13H,14-16H2