[1,4-bis(oxidanyl)naphthalen-2-yl]phosphonic acid; butane

Systemtic Name: [1,4-bis(oxidanyl)naphthalen-2-yl]phosphonic acid; butane Openeye Name: butane; (1,4-dihydroxy-2-naphthyl)phosphonic acid CAS Name: butane; (1,4-dihydroxy-2-naphthalenyl)phosphonic acid IUPAC Name: butane; (1,4-dihydroxynaphthalen-2-yl)phosphonic acid Traditional Name: (1,4-dihydroxy-2-naphthyl)phosphonic acid; n-butane Formula: C14H19O5P MolecularWeight: 298.271421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC.C1=CC=C2C(=C1)C(=CC(=C2O)P(=O)(O)O)O

Isomeric SMILES

CCCC.C1=CC=C2C(=C1)C(=CC(=C2O)P(=O)(O)O)O

InChI

InChI=1S/C10H9O5P.C4H10/c11-8-5-9(16(13,14)15)10(12)7-4-2-1-3-6(7)8;1-3-4-2/h1-5,11-12H,(H2,13,14,15);3-4H2,1-2H3