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

Systemtic Name: (3-nitrophenyl)methyl 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: (3-nitrophenyl)methyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid (3-nitrobenzyl) ester Formula: C26H17NO5S MolecularWeight: 455.48188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)OCC5=CC(=CC=C5)[N+](=O)[O-])C=CC=C4C2=O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)OCC5=CC(=CC=C5)[N+](=O)[O-])C=CC=C4C2=O

InChI

InChI=1S/C26H17NO5S/c28-24(32-14-16-5-3-6-17(13-16)27(30)31)15-33-23-12-11-19-18-7-1-2-8-20(18)26(29)22-10-4-9-21(23)25(19)22/h1-13H,14-15H2