dodecan-1-amine; 2-[3-(4-dodecylphenyl)-2-oxidanylidene-1-benzofuran-6-ylidene]indene-1,3-dione

Systemtic Name: dodecan-1-amine; 2-[3-(4-dodecylphenyl)-2-oxidanylidene-1-benzofuran-6-ylidene]indene-1,3-dione Openeye Name: dodecan-1-amine; 2-[3-(4-dodecylphenyl)-2-oxo-benzofuran-6-ylidene]indane-1,3-dione CAS Name: 1-dodecanamine; 2-[3-(4-dodecylphenyl)-2-oxo-6-benzofuranylidene]indene-1,3-dione IUPAC Name: dodecan-1-amine; 2-[3-(4-dodecylphenyl)-2-oxo-1-benzofuran-6-ylidene]indene-1,3-dione Traditional Name: 2-[2-keto-3-(4-laurylphenyl)benzofuran-6-ylidene]indane-1,3-quinone; laurylamine Formula: C47H63NO4 MolecularWeight: 706.00742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=C3C=CC(=C4C(=O)C5=CC=CC=C5C4=O)C=C3OC2=O.CCCCCCCCCCCCN

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=C3C=CC(=C4C(=O)C5=CC=CC=C5C4=O)C=C3OC2=O.CCCCCCCCCCCCN

InChI

InChI=1S/C35H36O4.C12H27N/c1-2-3-4-5-6-7-8-9-10-11-14-24-17-19-25(20-18-24)31-29-22-21-26(23-30(29)39-35(31)38)32-33(36)27-15-12-13-16-28(27)34(32)37;1-2-3-4-5-6-7-8-9-10-11-12-13/h12-13,15-23H,2-11,14H2,1H3;2-13H2,1H3