5-[(E)-hept-1-enyl]-1-(9-oxidanyl-9-oxidanylidene-nonyl)-4-pentyl-spiro[5.8]tetradec-2-ene-14-carboxylic acid

Systemtic Name: 5-[(E)-hept-1-enyl]-1-(9-oxidanyl-9-oxidanylidene-nonyl)-4-pentyl-spiro[5.8]tetradec-2-ene-14-carboxylic acid Openeye Name: 5-[(E)-hept-1-enyl]-1-(9-hydroxy-9-oxo-nonyl)-4-pentyl-spiro[5.8]tetradec-2-ene-14-carboxylic acid CAS Name: 5-[(E)-hept-1-enyl]-1-(9-hydroxy-9-oxononyl)-4-pentyl-14-spiro[5.8]tetradec-2-enecarboxylic acid IUPAC Name: 5-[(E)-hept-1-enyl]-1-(9-hydroxy-9-oxononyl)-4-pentylspiro[5.8]tetradec-2-ene-14-carboxylic acid Traditional Name: 4-amyl-5-[(E)-hept-1-enyl]-1-(9-hydroxy-9-keto-nonyl)spiro[5.8]tetradec-2-ene-14-carboxylic acid Formula: C36H62O4 MolecularWeight: 558.87508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC1C(C=CC(C12CCCCCCCC2C(=O)O)CCCCCCCCC(=O)O)CCCCC

Isomeric SMILES

CCCCC/C=C/C1C(C=CC(C12CCCCCCCC2C(=O)O)CCCCCCCCC(=O)O)CCCCC

InChI

InChI=1S/C36H62O4/c1-3-5-7-11-18-24-32-30(22-16-6-4-2)27-28-31(23-17-12-8-9-14-20-26-34(37)38)36(32)29-21-15-10-13-19-25-33(36)35(39)40/h18,24,27-28,30-33H,3-17,19-23,25-26,29H2,1-2H3,(H,37,38)(H,39,40)/b24-18+