methyl (5Z,7S,9S)-6-butyl-7-oxidanyl-7-propan-2-yl-9,10-dihydro-8H-benzo[8]annulene-9-carboxylate

Systemtic Name: methyl (5Z,7S,9S)-6-butyl-7-oxidanyl-7-propan-2-yl-9,10-dihydro-8H-benzo[8]annulene-9-carboxylate Openeye Name: methyl (5Z,7S,9S)-6-butyl-7-hydroxy-7-isopropyl-9,10-dihydro-8H-benzo[8]annulene-9-carboxylate CAS Name: (5Z,7S,9S)-6-butyl-7-hydroxy-7-propan-2-yl-9,10-dihydro-8H-benzo[8]annulene-9-carboxylic acid methyl ester IUPAC Name: methyl (5Z,7S,9S)-6-butyl-7-hydroxy-7-propan-2-yl-9,10-dihydro-8H-benzo[8]annulene-9-carboxylate Traditional Name: (5Z,7S,9S)-6-butyl-7-hydroxy-7-isopropyl-9,10-dihydro-8H-benzocyclooctene-9-carboxylic acid methyl ester Formula: C21H30O3 MolecularWeight: 330.4611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2CC(CC1(C(C)C)O)C(=O)OC

Isomeric SMILES

CCCC/C/1=C/C2=CC=CC=C2C[C@@H](C[C@@]1(C(C)C)O)C(=O)OC

InChI

InChI=1S/C21H30O3/c1-5-6-11-19-13-17-10-8-7-9-16(17)12-18(20(22)24-4)14-21(19,23)15(2)3/h7-10,13,15,18,23H,5-6,11-12,14H2,1-4H3/b19-13-/t18-,21-/m0/s1