4-oxidanyl-3-(7-oxidanyl-7-pentyl-dodecyl)naphthalene-1,2-dione

Systemtic Name: 4-oxidanyl-3-(7-oxidanyl-7-pentyl-dodecyl)naphthalene-1,2-dione Openeye Name: 4-hydroxy-3-(7-hydroxy-7-pentyl-dodecyl)naphthalene-1,2-dione CAS Name: 4-hydroxy-3-(7-hydroxy-7-pentyldodecyl)naphthalene-1,2-dione IUPAC Name: 4-hydroxy-3-(7-hydroxy-7-pentyldodecyl)naphthalene-1,2-dione Traditional Name: 3-(7-amyl-7-hydroxy-dodecyl)-4-hydroxy-1,2-naphthoquinone Formula: C27H40O4 MolecularWeight: 428.6041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCCC)(CCCCCCC1=C(C2=CC=CC=C2C(=O)C1=O)O)O

Isomeric SMILES

CCCCCC(CCCCC)(CCCCCCC1=C(C2=CC=CC=C2C(=O)C1=O)O)O

InChI

InChI=1S/C27H40O4/c1-3-5-12-18-27(31,19-13-6-4-2)20-14-8-7-9-17-23-24(28)21-15-10-11-16-22(21)25(29)26(23)30/h10-11,15-16,28,31H,3-9,12-14,17-20H2,1-2H3