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

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C29H22O4S MolecularWeight: 466.54758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O

InChI

InChI=1S/C29H22O4S/c1-2-18-10-12-19(13-11-18)25(30)16-33-27(31)17-34-26-15-14-21-20-6-3-4-7-22(20)29(32)24-9-5-8-23(26)28(21)24/h3-15H,2,16-17H2,1H3