7-methyl-5-oxidanyl-naphthalene-1,4-dione; (2S)-2-[2-[[(2S)-1-oxidanylbutan-2-yl]amino]ethylamino]butan-1-ol

Systemtic Name: 7-methyl-5-oxidanyl-naphthalene-1,4-dione; (2S)-2-[2-[[(2S)-1-oxidanylbutan-2-yl]amino]ethylamino]butan-1-ol Openeye Name: 5-hydroxy-7-methyl-naphthalene-1,4-dione; (2S)-2-[2-[[(1S)-1-(hydroxymethyl)propyl]amino]ethylamino]butan-1-ol CAS Name: (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]-1-butanol; 5-hydroxy-7-methylnaphthalene-1,4-dione IUPAC Name: (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol; 5-hydroxy-7-methylnaphthalene-1,4-dione Traditional Name: 5-hydroxy-7-methyl-1,4-naphthoquinone; (2S)-2-[2-[[(1S)-1-methylolpropyl]amino]ethylamino]butan-1-ol Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NCCNC(CC)CO.CC1=CC(=C2C(=O)C=CC(=O)C2=C1)O

Isomeric SMILES

CC[C@@H](CO)NCCN[C@@H](CC)CO.CC1=CC(=C2C(=O)C=CC(=O)C2=C1)O

InChI

InChI=1S/C11H8O3.C10H24N2O2/c1-6-4-7-8(12)2-3-9(13)11(7)10(14)5-6;1-3-9(7-13)11-5-6-12-10(4-2)8-14/h2-5,14H,1H3;9-14H,3-8H2,1-2H3/t;9-,10-/m.0/s1