2-methylbenzoic acid; 3-methylnon-1-ene

Systemtic Name: 2-methylbenzoic acid; 3-methylnon-1-ene Openeye Name: 2-methylbenzoic acid; 3-methylnon-1-ene CAS Name: 2-methylbenzoic acid; 3-methyl-1-nonene IUPAC Name: 2-methylbenzoic acid; 3-methylnon-1-ene Traditional Name: 3-methylnon-1-ene; o-toluic acid Formula: C18H28O2 MolecularWeight: 276.41372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C=C.CC1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCCCC(C)C=C.CC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C10H20.C8H8O2/c1-4-6-7-8-9-10(3)5-2;1-6-4-2-3-5-7(6)8(9)10/h5,10H,2,4,6-9H2,1,3H3;2-5H,1H3,(H,9,10)