1-[(E)-hex-1-enyl]-3-nonyl-benzene; 1-(3-nonylphenyl)hexan-1-ol

Systemtic Name: 1-[(E)-hex-1-enyl]-3-nonyl-benzene; 1-(3-nonylphenyl)hexan-1-ol Openeye Name: 1-[(E)-hex-1-enyl]-3-nonyl-benzene; 1-(3-nonylphenyl)hexan-1-ol CAS Name: 1-[(E)-hex-1-enyl]-3-nonylbenzene; 1-(3-nonylphenyl)-1-hexanol IUPAC Name: 1-[(E)-hex-1-enyl]-3-nonylbenzene; 1-(3-nonylphenyl)hexan-1-ol Traditional Name: 1-[(E)-hex-1-enyl]-3-nonyl-benzene; 1-(3-nonylphenyl)hexan-1-ol Formula: C42H70O MolecularWeight: 591.0046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=CC=C1)C(CCCCC)O.CCCCCCCCCC1=CC=CC(=C1)C=CCCCC

Isomeric SMILES

CCCCCCCCCC1=CC(=CC=C1)C(CCCCC)O.CCCCCCCCCC1=CC=CC(=C1)/C=C/CCCC

InChI

InChI=1S/C21H36O.C21H34/c1-3-5-7-8-9-10-12-14-19-15-13-16-20(18-19)21(22)17-11-6-4-2;1-3-5-7-9-10-11-13-16-21-18-14-17-20(19-21)15-12-8-6-4-2/h13,15-16,18,21-22H,3-12,14,17H2,1-2H3;12,14-15,17-19H,3-11,13,16H2,1-2H3/b;15-12+