methane; (Z)-6-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-2-phosphono-hex-4-enoate

Systemtic Name: methane; (Z)-6-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-2-phosphono-hex-4-enoate Openeye Name: (Z)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-2-phosphono-hex-4-enoate; methane CAS Name: (Z)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-2-phosphono-4-hexenoate; methane IUPAC Name: (Z)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methyl-2-phosphonohex-4-enoate; methane Traditional Name: (Z)-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-4-methyl-2-phosphono-hex-4-enoate; methane Formula: C18H24O9P- MolecularWeight: 415.351521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C.CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CC(C(=O)[O-])P(=O)(O)O)OC

Isomeric SMILES

C.CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(/C)\CC(C(=O)[O-])P(=O)(O)O)OC

InChI

InChI=1S/C17H21O9P.CH4/c1-8(6-12(16(19)20)27(22,23)24)4-5-10-14(18)13-11(7-26-17(13)21)9(2)15(10)25-3;/h4,12,18H,5-7H2,1-3H3,(H,19,20)(H2,22,23,24);1H4/p-1/b8-4-;