3-pentadecyl-5-(phenylsulfonyl)benzene-1,2-diol

Systemtic Name: 3-pentadecyl-5-(phenylsulfonyl)benzene-1,2-diol Openeye Name: 5-(benzenesulfonyl)-3-pentadecyl-benzene-1,2-diol CAS Name: 5-(benzenesulfonyl)-3-pentadecylbenzene-1,2-diol IUPAC Name: 5-(benzenesulfonyl)-3-pentadecylbenzene-1,2-diol Traditional Name: 5-besyl-3-pentadecyl-pyrocatechol Formula: C27H40O4S MolecularWeight: 460.6691

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C27H40O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-23-21-25(22-26(28)27(23)29)32(30,31)24-19-16-14-17-20-24/h14,16-17,19-22,28-29H,2-13,15,18H2,1H3