octyl 2-[(3-azanyl-4-oxidanyl-phenyl)-(2-octoxy-2-oxidanylidene-ethyl)sulfanyl-arsanyl]sulfanylethanoate

Systemtic Name: octyl 2-[(3-azanyl-4-oxidanyl-phenyl)-(2-octoxy-2-oxidanylidene-ethyl)sulfanyl-arsanyl]sulfanylethanoate Openeye Name: octyl 2-[(3-amino-4-hydroxy-phenyl)-(2-octoxy-2-oxo-ethyl)sulfanyl-arsanyl]sulfanylacetate CAS Name: 2-[[(3-amino-4-hydroxyphenyl)-[(2-octoxy-2-oxoethyl)thio]arsino]thio]acetic acid octyl ester IUPAC Name: octyl 2-[(3-amino-4-hydroxyphenyl)-(2-octoxy-2-oxoethyl)sulfanylarsanyl]sulfanylacetate Traditional Name: 2-[[(3-amino-4-hydroxy-phenyl)-[(2-keto-2-octoxy-ethyl)thio]arsino]thio]acetic acid octyl ester Formula: C26H44AsNO5S2 MolecularWeight: 589.68286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CS[As](C1=CC(=C(C=C1)O)N)SCC(=O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC(=O)CS[As](C1=CC(=C(C=C1)O)N)SCC(=O)OCCCCCCCC

InChI

InChI=1S/C26H44AsNO5S2/c1-3-5-7-9-11-13-17-32-25(30)20-34-27(22-15-16-24(29)23(28)19-22)35-21-26(31)33-18-14-12-10-8-6-4-2/h15-16,19,29H,3-14,17-18,20-21,28H2,1-2H3