butan-2-yl 4-oxidanylbenzoate; pentyl 4-oxidanylbenzoate; propan-2-yl 4-oxidanylbenzoate

Systemtic Name: butan-2-yl 4-oxidanylbenzoate; pentyl 4-oxidanylbenzoate; propan-2-yl 4-oxidanylbenzoate Openeye Name: isopropyl 4-hydroxybenzoate; pentyl 4-hydroxybenzoate; sec-butyl 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid butan-2-yl ester; 4-hydroxybenzoic acid pentyl ester; 4-hydroxybenzoic acid propan-2-yl ester IUPAC Name: butan-2-yl 4-hydroxybenzoate; pentyl 4-hydroxybenzoate; propan-2-yl 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid amyl ester; 4-hydroxybenzoic acid isopropyl ester; 4-hydroxybenzoic acid sec-butyl ester Formula: C33H42O9 MolecularWeight: 582.68118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)O.CCC(C)OC(=O)C1=CC=C(C=C1)O.CC(C)OC(=O)C1=CC=C(C=C1)O

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)O.CCC(C)OC(=O)C1=CC=C(C=C1)O.CC(C)OC(=O)C1=CC=C(C=C1)O

InChI

InChI=1S/C12H16O3.C11H14O3.C10H12O3/c1-2-3-4-9-15-12(14)10-5-7-11(13)8-6-10;1-3-8(2)14-11(13)9-4-6-10(12)7-5-9;1-7(2)13-10(12)8-3-5-9(11)6-4-8/h5-8,13H,2-4,9H2,1H3;4-8,12H,3H2,1-2H3;3-7,11H,1-2H3