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

Systemtic Name: 4-[2-(4-oxidanyl-2-propoxy-phenyl)propan-2-yl]-3-propoxy-phenol; 2-pentadecylthietane Openeye Name: 4-[1-(4-hydroxy-2-propoxy-phenyl)-1-methyl-ethyl]-3-propoxy-phenol; 2-pentadecylthietane CAS Name: 4-[2-(4-hydroxy-2-propoxyphenyl)propan-2-yl]-3-propoxyphenol; 2-pentadecylthietane IUPAC Name: 4-[2-(4-hydroxy-2-propoxyphenyl)propan-2-yl]-3-propoxyphenol; 2-pentadecylthietane Traditional Name: 4-[1-(4-hydroxy-2-propoxy-phenyl)-1-methyl-ethyl]-3-propoxy-phenol; 2-pentadecylthietane Formula: C39H64O4S MolecularWeight: 628.98806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1CCS1.CCCOC1=C(C=CC(=C1)O)C(C)(C)C2=C(C=C(C=C2)O)OCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1CCS1.CCCOC1=C(C=CC(=C1)O)C(C)(C)C2=C(C=C(C=C2)O)OCCC

InChI

InChI=1S/C21H28O4.C18H36S/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;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-17-19-18/h7-10,13-14,22-23H,5-6,11-12H2,1-4H3;18H,2-17H2,1H3