2-nonylthietane; 4-[2-(4-oxidanyl-2-propoxy-phenyl)propan-2-yl]-3-propoxy-phenol

Systemtic Name: 2-nonylthietane; 4-[2-(4-oxidanyl-2-propoxy-phenyl)propan-2-yl]-3-propoxy-phenol Openeye Name: 4-[1-(4-hydroxy-2-propoxy-phenyl)-1-methyl-ethyl]-3-propoxy-phenol; 2-nonylthietane CAS Name: 4-[2-(4-hydroxy-2-propoxyphenyl)propan-2-yl]-3-propoxyphenol; 2-nonylthietane IUPAC Name: 4-[2-(4-hydroxy-2-propoxyphenyl)propan-2-yl]-3-propoxyphenol; 2-nonylthietane Traditional Name: 4-[1-(4-hydroxy-2-propoxy-phenyl)-1-methyl-ethyl]-3-propoxy-phenol; 2-nonylthietane Formula: C33H52O4S MolecularWeight: 544.82858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CCS1.CCCOC1=C(C=CC(=C1)O)C(C)(C)C2=C(C=C(C=C2)O)OCCC

Isomeric SMILES

CCCCCCCCCC1CCS1.CCCOC1=C(C=CC(=C1)O)C(C)(C)C2=C(C=C(C=C2)O)OCCC

InChI

InChI=1S/C21H28O4.C12H24S/c1-5-11-24-19-13-15(22)7-9-17(19)21(3,4)18-10-8-16(23)14-20(18)25-12-6-2;1-2-3-4-5-6-7-8-9-12-10-11-13-12/h7-10,13-14,22-23H,5-6,11-12H2,1-4H3;12H,2-11H2,1H3