methyl 2-[(S)-3-(1,3-benzodioxol-5-yl)pentan-3-ylperoxy-phenyl-methyl]prop-2-enoate

Systemtic Name: methyl 2-[(S)-3-(1,3-benzodioxol-5-yl)pentan-3-ylperoxy-phenyl-methyl]prop-2-enoate Openeye Name: methyl 2-[(S)-[1-(1,3-benzodioxol-5-yl)-1-ethyl-propyl]peroxy-phenyl-methyl]prop-2-enoate CAS Name: 2-[(S)-3-(1,3-benzodioxol-5-yl)pentan-3-yldioxy-phenylmethyl]-2-propenoic acid methyl ester IUPAC Name: methyl 2-[(S)-3-(1,3-benzodioxol-5-yl)pentan-3-ylperoxy-phenylmethyl]prop-2-enoate Traditional Name: 2-[(S)-[1-(1,3-benzodioxol-5-yl)-1-ethyl-propyl]peroxy-phenyl-methyl]acrylic acid methyl ester Formula: C23H26O6 MolecularWeight: 398.44894

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC2=C(C=C1)OCO2)OOC(C3=CC=CC=C3)C(=C)C(=O)OC

Isomeric SMILES

CCC(CC)(C1=CC2=C(C=C1)OCO2)OO[C@@H](C3=CC=CC=C3)C(=C)C(=O)OC

InChI

InChI=1S/C23H26O6/c1-5-23(6-2,18-12-13-19-20(14-18)27-15-26-19)29-28-21(16(3)22(24)25-4)17-10-8-7-9-11-17/h7-14,21H,3,5-6,15H2,1-2,4H3/t21-/m1/s1