3,7-dimethyl-7-oxidanyl-octanal; 1H-indole; (2E)-2-(phenylmethylidene)heptanal

Systemtic Name: 3,7-dimethyl-7-oxidanyl-octanal; 1H-indole; (2E)-2-(phenylmethylidene)heptanal Openeye Name: (2E)-2-benzylideneheptanal; 7-hydroxy-3,7-dimethyl-octanal; indole CAS Name: 7-hydroxy-3,7-dimethyloctanal; 1H-indole; (2E)-2-(phenylmethylene)heptanal IUPAC Name: (2E)-2-benzylideneheptanal; 7-hydroxy-3,7-dimethyloctanal; 1H-indole Traditional Name: (E)-2-amyl-3-phenyl-acrolein; 7-hydroxy-3,7-dimethyl-caprylaldehyde; indole Formula: C32H45NO3 MolecularWeight: 491.7046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC1=CC=CC=C1)C=O.CC(CCCC(C)(C)O)CC=O.C1=CC=C2C(=C1)C=CN2

Isomeric SMILES

CCCCC/C(=C\C1=CC=CC=C1)/C=O.CC(CCCC(C)(C)O)CC=O.C1=CC=C2C(=C1)C=CN2

InChI

InChI=1S/C14H18O.C10H20O2.C8H7N/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13;1-9(6-8-11)5-4-7-10(2,3)12;1-2-4-8-7(3-1)5-6-9-8/h4,6-9,11-12H,2-3,5,10H2,1H3;8-9,12H,4-7H2,1-3H3;1-6,9H/b14-11+;;