2-hexadecoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid

Systemtic Name: 2-hexadecoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid Openeye Name: 5-benzoyl-2-hexadecoxy-4-hydroxy-benzenesulfonic acid CAS Name: 5-benzoyl-2-hexadecoxy-4-hydroxybenzenesulfonic acid IUPAC Name: 5-benzoyl-2-hexadecoxy-4-hydroxybenzenesulfonic acid Traditional Name: 5-benzoyl-2-cetyloxy-4-hydroxy-besylic acid Formula: C29H42O6S MolecularWeight: 518.70518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C29H42O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-35-27-23-26(30)25(22-28(27)36(32,33)34)29(31)24-19-16-15-17-20-24/h15-17,19-20,22-23,30H,2-14,18,21H2,1H3,(H,32,33,34)