[(1Z,3S,5S,6R)-1-cyano-6-methyl-5-oxidanyl-nona-1,8-dien-3-yl] 2-oxidanyl-6-prop-2-enyl-benzoate

Systemtic Name: [(1Z,3S,5S,6R)-1-cyano-6-methyl-5-oxidanyl-nona-1,8-dien-3-yl] 2-oxidanyl-6-prop-2-enyl-benzoate Openeye Name: [(1S,3S,4R)-1-[(Z)-2-cyanovinyl]-3-hydroxy-4-methyl-hept-6-enyl] 2-allyl-6-hydroxy-benzoate CAS Name: 2-hydroxy-6-prop-2-enylbenzoic acid [(1Z,3S,5S,6R)-1-cyano-5-hydroxy-6-methylnona-1,8-dien-3-yl] ester IUPAC Name: [(1Z,3S,5S,6R)-1-cyano-5-hydroxy-6-methylnona-1,8-dien-3-yl] 2-hydroxy-6-prop-2-enylbenzoate Traditional Name: 2-allyl-6-hydroxy-benzoic acid [(1S,3S,4R)-1-[(Z)-2-cyanovinyl]-3-hydroxy-4-methyl-hept-6-enyl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=C)C(CC(C=CC#N)OC(=O)C1=C(C=CC=C1O)CC=C)O

Isomeric SMILES

C[C@H](CC=C)[C@H](C[C@@H](/C=C\C#N)OC(=O)C1=C(C=CC=C1O)CC=C)O

InChI

InChI=1S/C21H25NO4/c1-4-8-15(3)19(24)14-17(11-7-13-22)26-21(25)20-16(9-5-2)10-6-12-18(20)23/h4-7,10-12,15,17,19,23-24H,1-2,8-9,14H2,3H3/b11-7-/t15-,17-,19+/m1/s1