8-[[4-[4-(2-hydroxyethylsulfanylmethyl)-6-phenyl-1,3-dioxan-2-yl]phenyl]amino]-8-oxidanylidene-octanoic acid

Systemtic Name: 8-[[4-[4-(2-hydroxyethylsulfanylmethyl)-6-phenyl-1,3-dioxan-2-yl]phenyl]amino]-8-oxidanylidene-octanoic acid Openeye Name: 8-[4-[4-(2-hydroxyethylsulfanylmethyl)-6-phenyl-1,3-dioxan-2-yl]anilino]-8-oxo-octanoic acid CAS Name: 8-[4-[4-[(2-hydroxyethylthio)methyl]-6-phenyl-1,3-dioxan-2-yl]anilino]-8-oxooctanoic acid IUPAC Name: 8-[4-[4-(2-hydroxyethylsulfanylmethyl)-6-phenyl-1,3-dioxan-2-yl]anilino]-8-oxooctanoic acid Traditional Name: 8-[4-[4-[(2-hydroxyethylthio)methyl]-6-phenyl-1,3-dioxan-2-yl]anilino]-8-keto-caprylic acid Formula: C27H35NO6S MolecularWeight: 501.6349

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(OC1C2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)O)CSCCO

Isomeric SMILES

C1C(OC(OC1C2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)O)CSCCO

InChI

InChI=1S/C27H35NO6S/c29-16-17-35-19-23-18-24(20-8-4-3-5-9-20)34-27(33-23)21-12-14-22(15-13-21)28-25(30)10-6-1-2-7-11-26(31)32/h3-5,8-9,12-15,23-24,27,29H,1-2,6-7,10-11,16-19H2,(H,28,30)(H,31,32)