2,2-dimethyl-14-oxidanyl-14-prop-2-enyl-heptadec-16-enal; methyl 2,2-dimethyl-14-oxidanyl-14-prop-2-enyl-heptadec-16-enoate

Systemtic Name: 2,2-dimethyl-14-oxidanyl-14-prop-2-enyl-heptadec-16-enal; methyl 2,2-dimethyl-14-oxidanyl-14-prop-2-enyl-heptadec-16-enoate Openeye Name: 14-allyl-14-hydroxy-2,2-dimethyl-heptadec-16-enal; methyl 14-allyl-14-hydroxy-2,2-dimethyl-heptadec-16-enoate CAS Name: 14-hydroxy-2,2-dimethyl-14-prop-2-enyl-16-heptadecenal; 14-hydroxy-2,2-dimethyl-14-prop-2-enyl-16-heptadecenoic acid methyl ester IUPAC Name: 14-hydroxy-2,2-dimethyl-14-prop-2-enylheptadec-16-enal; methyl 14-hydroxy-2,2-dimethyl-14-prop-2-enylheptadec-16-enoate Traditional Name: 14-allyl-14-hydroxy-2,2-dimethyl-heptadec-16-enal; 14-allyl-14-hydroxy-2,2-dimethyl-heptadec-16-enoic acid methyl ester Formula: C45H82O5 MolecularWeight: 703.12958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCCCCCCCCC(CC=C)(CC=C)O)C=O.CC(C)(CCCCCCCCCCCC(CC=C)(CC=C)O)C(=O)OC

Isomeric SMILES

CC(C)(CCCCCCCCCCCC(CC=C)(CC=C)O)C=O.CC(C)(CCCCCCCCCCCC(CC=C)(CC=C)O)C(=O)OC

InChI

InChI=1S/C23H42O3.C22H40O2/c1-6-17-23(25,18-7-2)20-16-14-12-10-8-9-11-13-15-19-22(3,4)21(24)26-5;1-5-16-22(24,17-6-2)19-15-13-11-9-7-8-10-12-14-18-21(3,4)20-23/h6-7,25H,1-2,8-20H2,3-5H3;5-6,20,24H,1-2,7-19H2,3-4H3