benzene-1,2-diol; (2-oxidanyl-1-oxidanylidene-4-phenyl-1-propoxy-pentan-3-yl) 2-ethyl-2-methyl-heptanoate

Systemtic Name: benzene-1,2-diol; (2-oxidanyl-1-oxidanylidene-4-phenyl-1-propoxy-pentan-3-yl) 2-ethyl-2-methyl-heptanoate Openeye Name: benzene-1,2-diol; [2-hydroxy-3-oxo-1-(1-phenylethyl)-3-propoxy-propyl] 2-ethyl-2-methyl-heptanoate CAS Name: benzene-1,2-diol; 2-ethyl-2-methylheptanoic acid (2-hydroxy-1-oxo-4-phenyl-1-propoxypentan-3-yl) ester IUPAC Name: benzene-1,2-diol; (2-hydroxy-1-oxo-4-phenyl-1-propoxypentan-3-yl) 2-ethyl-2-methylheptanoate Traditional Name: 2-ethyl-2-methyl-enanthic acid [2-hydroxy-3-keto-1-(1-phenylethyl)-3-propoxy-propyl] ester; pyrocatechol Formula: C30H44O7 MolecularWeight: 516.66616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(CC)C(=O)OC(C(C)C1=CC=CC=C1)C(C(=O)OCCC)O.C1=CC=C(C(=C1)O)O

Isomeric SMILES

CCCCCC(C)(CC)C(=O)OC(C(C)C1=CC=CC=C1)C(C(=O)OCCC)O.C1=CC=C(C(=C1)O)O

InChI

InChI=1S/C24H38O5.C6H6O2/c1-6-9-13-16-24(5,8-3)23(27)29-21(20(25)22(26)28-17-7-2)18(4)19-14-11-10-12-15-19;7-5-3-1-2-4-6(5)8/h10-12,14-15,18,20-21,25H,6-9,13,16-17H2,1-5H3;1-4,7-8H