benzene-1,2-diol; pentadecan-2-ylbenzene

Systemtic Name: benzene-1,2-diol; pentadecan-2-ylbenzene Openeye Name: benzene-1,2-diol; 1-methyltetradecylbenzene CAS Name: benzene-1,2-diol; pentadecan-2-ylbenzene IUPAC Name: benzene-1,2-diol; pentadecan-2-ylbenzene Traditional Name: 1-methyltetradecylbenzene; pyrocatechol Formula: C27H42O2 MolecularWeight: 398.62118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C)C1=CC=CC=C1.C1=CC=C(C(=C1)O)O

Isomeric SMILES

CCCCCCCCCCCCCC(C)C1=CC=CC=C1.C1=CC=C(C(=C1)O)O

InChI

InChI=1S/C21H36.C6H6O2/c1-3-4-5-6-7-8-9-10-11-12-14-17-20(2)21-18-15-13-16-19-21;7-5-3-1-2-4-6(5)8/h13,15-16,18-20H,3-12,14,17H2,1-2H3;1-4,7-8H