[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C27H18INO4S MolecularWeight: 579.40559

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)OCC(=O)NC5=CC(=CC=C5)I)C=CC=C4C2=O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)OCC(=O)NC5=CC(=CC=C5)I)C=CC=C4C2=O

InChI

InChI=1S/C27H18INO4S/c28-16-5-3-6-17(13-16)29-24(30)14-33-25(31)15-34-23-12-11-19-18-7-1-2-8-20(18)27(32)22-10-4-9-21(23)26(19)22/h1-13H,14-15H2,(H,29,30)