3-heptadecyl-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-heptadecyl-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-heptadecyl-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-heptadecyl-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-heptadecyl-4-hydroxynaphthalene-1,2-dione Traditional Name: 3-heptadecyl-4-hydroxy-1,2-naphthoquinone Formula: C27H40O3 MolecularWeight: 412.6047

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=C(C2=CC=CC=C2C(=O)C1=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=C(C2=CC=CC=C2C(=O)C1=O)O

InChI

InChI=1S/C27H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24-25(28)22-19-17-18-20-23(22)26(29)27(24)30/h17-20,28H,2-16,21H2,1H3