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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)OCCOC5=CC=CC=C5Cl)C=CC=C4C2=O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)OCCOC5=CC=CC=C5Cl)C=CC=C4C2=O

InChI

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