4-oxidanyl-3-[1-(propan-2-ylamino)dodecyl]naphthalene-1,2-dione

Systemtic Name: 4-oxidanyl-3-[1-(propan-2-ylamino)dodecyl]naphthalene-1,2-dione Openeye Name: 4-hydroxy-3-[1-(isopropylamino)dodecyl]naphthalene-1,2-dione CAS Name: 4-hydroxy-3-[1-(propan-2-ylamino)dodecyl]naphthalene-1,2-dione IUPAC Name: 4-hydroxy-3-[1-(propan-2-ylamino)dodecyl]naphthalene-1,2-dione Traditional Name: 4-hydroxy-3-[1-(isopropylamino)dodecyl]-1,2-naphthoquinone Formula: C25H37NO3 MolecularWeight: 399.56618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C1=C(C2=CC=CC=C2C(=O)C1=O)O)NC(C)C

Isomeric SMILES

CCCCCCCCCCCC(C1=C(C2=CC=CC=C2C(=O)C1=O)O)NC(C)C

InChI

InChI=1S/C25H37NO3/c1-4-5-6-7-8-9-10-11-12-17-21(26-18(2)3)22-23(27)19-15-13-14-16-20(19)24(28)25(22)29/h13-16,18,21,26-27H,4-12,17H2,1-3H3