benzoic acid; 2-[(E)-7-methyloct-5-enyl]guanidine

Systemtic Name: benzoic acid; 2-[(E)-7-methyloct-5-enyl]guanidine Openeye Name: benzoic acid; 2-[(E)-7-methyloct-5-enyl]guanidine CAS Name: benzoic acid; 2-[(E)-7-methyloct-5-enyl]guanidine IUPAC Name: benzoic acid; 2-[(E)-7-methyloct-5-enyl]guanidine Traditional Name: benzoic acid; 2-[(E)-7-methyloct-5-enyl]guanidine Formula: C24H33N3O4 MolecularWeight: 427.53652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=CCCCCN=C(N)N.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)/C=C/CCCCN=C(N)N.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C10H21N3.2C7H6O2/c1-9(2)7-5-3-4-6-8-13-10(11)12;2*8-7(9)6-4-2-1-3-5-6/h5,7,9H,3-4,6,8H2,1-2H3,(H4,11,12,13);2*1-5H,(H,8,9)/b7-5+;;