4-hexadecyl-2,3-bis(oxidanyl)naphthalene-1-carboxylate

Systemtic Name: 4-hexadecyl-2,3-bis(oxidanyl)naphthalene-1-carboxylate Openeye Name: 4-hexadecyl-2,3-dihydroxy-naphthalene-1-carboxylate CAS Name: 4-hexadecyl-2,3-dihydroxy-1-naphthalenecarboxylate IUPAC Name: 4-hexadecyl-2,3-dihydroxynaphthalene-1-carboxylate Traditional Name: 4-cetyl-2,3-dihydroxy-1-naphthoate Formula: C27H39O4- MolecularWeight: 427.59616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C(=C(C2=CC=CC=C21)C(=O)[O-])O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C(=C(C2=CC=CC=C21)C(=O)[O-])O)O

InChI

InChI=1S/C27H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-23-21-18-16-17-19-22(21)24(27(30)31)26(29)25(23)28/h16-19,28-29H,2-15,20H2,1H3,(H,30,31)/p-1