1-decoxy-2-phenyl-benzene; 3-methoxy-4-oxidanyl-benzoic acid

Systemtic Name: 1-decoxy-2-phenyl-benzene; 3-methoxy-4-oxidanyl-benzoic acid Openeye Name: 1-decoxy-2-phenyl-benzene; 4-hydroxy-3-methoxy-benzoic acid CAS Name: 1-decoxy-2-phenylbenzene; 4-hydroxy-3-methoxybenzoic acid IUPAC Name: 1-decoxy-2-phenylbenzene; 4-hydroxy-3-methoxybenzoic acid Traditional Name: 1-decoxy-2-phenyl-benzene; vanillic acid Formula: C30H38O5 MolecularWeight: 478.61972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=CC=C1C2=CC=CC=C2.COC1=C(C=CC(=C1)C(=O)O)O

Isomeric SMILES

CCCCCCCCCCOC1=CC=CC=C1C2=CC=CC=C2.COC1=C(C=CC(=C1)C(=O)O)O

InChI

InChI=1S/C22H30O.C8H8O4/c1-2-3-4-5-6-7-8-14-19-23-22-18-13-12-17-21(22)20-15-10-9-11-16-20;1-12-7-4-5(8(10)11)2-3-6(7)9/h9-13,15-18H,2-8,14,19H2,1H3;2-4,9H,1H3,(H,10,11)