2,5-bis[(3S)-3,7-dimethyloctyl]-4-prop-1-ynyl-benzaldehyde

Systemtic Name: 2,5-bis[(3S)-3,7-dimethyloctyl]-4-prop-1-ynyl-benzaldehyde Openeye Name: 2,5-bis[(3S)-3,7-dimethyloctyl]-4-prop-1-ynyl-benzaldehyde CAS Name: 2,5-bis[(3S)-3,7-dimethyloctyl]-4-prop-1-ynylbenzaldehyde IUPAC Name: 2,5-bis[(3S)-3,7-dimethyloctyl]-4-prop-1-ynylbenzaldehyde Traditional Name: 2,5-bis[(3S)-3,7-dimethyloctyl]-4-prop-1-ynyl-benzaldehyde Formula: C30H48O MolecularWeight: 424.70152

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC(=C(C=C1CCC(C)CCCC(C)C)C=O)CCC(C)CCCC(C)C

Isomeric SMILES

CC#CC1=CC(=C(C=C1CC[C@@H](C)CCCC(C)C)C=O)CC[C@@H](C)CCCC(C)C

InChI

InChI=1S/C30H48O/c1-8-11-27-20-29(19-17-26(7)15-10-13-24(4)5)30(22-31)21-28(27)18-16-25(6)14-9-12-23(2)3/h20-26H,9-10,12-19H2,1-7H3/t25-,26-/m0/s1