2-methyl-4-oxidanyl-benzoic acid; 4-(octadecylamino)phenol

Systemtic Name: 2-methyl-4-oxidanyl-benzoic acid; 4-(octadecylamino)phenol Openeye Name: 4-hydroxy-2-methyl-benzoic acid; 4-(octadecylamino)phenol CAS Name: 4-hydroxy-2-methylbenzoic acid; 4-(octadecylamino)phenol IUPAC Name: 4-hydroxy-2-methylbenzoic acid; 4-(octadecylamino)phenol Traditional Name: 4-hydroxy-2-methyl-benzoic acid; 4-(stearylamino)phenol Formula: C32H51NO4 MolecularWeight: 513.75164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)O.CC1=C(C=CC(=C1)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)O.CC1=C(C=CC(=C1)O)C(=O)O

InChI

InChI=1S/C24H43NO.C8H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-23-18-20-24(26)21-19-23;1-5-4-6(9)2-3-7(5)8(10)11/h18-21,25-26H,2-17,22H2,1H3;2-4,9H,1H3,(H,10,11)