[6-[(4-carboxy-2-methyl-phenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]-prop-2-enyl-sulfonyl-azanium; 2-methylfuran

Systemtic Name: [6-[(4-carboxy-2-methyl-phenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]-prop-2-enyl-sulfonyl-azanium; 2-methylfuran Openeye Name: allyl-[6-[(4-carboxy-2-methyl-phenyl)methoxy]indan-5-yl]-sulfonyl-ammonium; 2-methylfuran CAS Name: [6-[(4-carboxy-2-methylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]-prop-2-enyl-sulfonylammonium; 2-methylfuran IUPAC Name: [6-[(4-carboxy-2-methylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]-prop-2-enyl-sulfonylazanium; 2-methylfuran Traditional Name: allyl-[6-(4-carboxy-2-methyl-benzyl)oxyindan-5-yl]-sulfonyl-ammonium; 2-methylfuran Formula: C26H28NO6S+ MolecularWeight: 482.56862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CO1.CC1=C(C=CC(=C1)C(=O)O)COC2=C(C=C3CCCC3=C2)[N+](=S(=O)=O)CC=C

Isomeric SMILES

CC1=CC=CO1.CC1=C(C=CC(=C1)C(=O)O)COC2=C(C=C3CCCC3=C2)[N+](=S(=O)=O)CC=C

InChI

InChI=1S/C21H21NO5S.C5H6O/c1-3-9-22(28(25)26)19-11-15-5-4-6-16(15)12-20(19)27-13-18-8-7-17(21(23)24)10-14(18)2;1-5-3-2-4-6-5/h3,7-8,10-12H,1,4-6,9,13H2,2H3;2-4H,1H3/p+1