calcium 5-(3-methylbutoxy)-8-prop-2-enyl-2-(2H-1,2,3,4-tetrazol-5-yl)chromen-4-one

Systemtic Name: calcium 5-(3-methylbutoxy)-8-prop-2-enyl-2-(2H-1,2,3,4-tetrazol-5-yl)chromen-4-one Openeye Name: calcium 8-allyl-5-isopentyloxy-2-(2H-tetrazol-5-yl)chromen-4-one CAS Name: calcium 5-(3-methylbutoxy)-8-prop-2-enyl-2-(2H-tetrazol-5-yl)-1-benzopyran-4-one IUPAC Name: calcium 5-(3-methylbutoxy)-8-prop-2-enyl-2-(2H-tetrazol-5-yl)chromen-4-one Traditional Name: calcium 8-allyl-5-isoamoxy-2-(2H-tetrazol-5-yl)chromone Formula: C18H20CaN4O3+2 MolecularWeight: 380.4544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C2C(=O)C=C(OC2=C(C=C1)CC=C)C3=NNN=N3.[Ca+2]

Isomeric SMILES

CC(C)CCOC1=C2C(=O)C=C(OC2=C(C=C1)CC=C)C3=NNN=N3.[Ca+2]

InChI

InChI=1S/C18H20N4O3.Ca/c1-4-5-12-6-7-14(24-9-8-11(2)3)16-13(23)10-15(25-17(12)16)18-19-21-22-20-18;/h4,6-7,10-11H,1,5,8-9H2,2-3H3,(H,19,20,21,22);/q;+2