2-heptoxybenzoic acid; triphenylene

Systemtic Name: 2-heptoxybenzoic acid; triphenylene Openeye Name: 2-heptoxybenzoic acid; triphenylene CAS Name: 2-heptoxybenzoic acid; triphenylene IUPAC Name: 2-heptoxybenzoic acid; triphenylene Traditional Name: 2-heptoxybenzoic acid; triphenylene Formula: C102H132O18 MolecularWeight: 1646.12868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC=C1C(=O)O.CCCCCCCOC1=CC=CC=C1C(=O)O.CCCCCCCOC1=CC=CC=C1C(=O)O.CCCCCCCOC1=CC=CC=C1C(=O)O.CCCCCCCOC1=CC=CC=C1C(=O)O.CCCCCCCOC1=CC=CC=C1C(=O)O.C1=CC=C2C(=C1)C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

CCCCCCCOC1=CC=CC=C1C(=O)O.CCCCCCCOC1=CC=CC=C1C(=O)O.CCCCCCCOC1=CC=CC=C1C(=O)O.CCCCCCCOC1=CC=CC=C1C(=O)O.CCCCCCCOC1=CC=CC=C1C(=O)O.CCCCCCCOC1=CC=CC=C1C(=O)O.C1=CC=C2C(=C1)C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C18H12.6C14H20O3/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;6*1-2-3-4-5-8-11-17-13-10-7-6-9-12(13)14(15)16/h1-12H;6*6-7,9-10H,2-5,8,11H2,1H3,(H,15,16)