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

Systemtic Name: 2-(4-methylphenoxy)ethyl 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: 2-(4-methylphenoxy)ethyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid 2-(4-methylphenoxy)ethyl ester IUPAC Name: 2-(4-methylphenoxy)ethyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid 2-(4-methylphenoxy)ethyl ester Formula: C28H22O4S MolecularWeight: 454.53688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCOC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC=C(C=C1)OCCOC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O

InChI

InChI=1S/C28H22O4S/c1-18-9-11-19(12-10-18)31-15-16-32-26(29)17-33-25-14-13-21-20-5-2-3-6-22(20)28(30)24-8-4-7-23(25)27(21)24/h2-14H,15-17H2,1H3