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

Systemtic Name: [6-[(4-carboxy-2-methyl-phenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]-prop-2-enyl-sulfonyl-azanium Openeye Name: allyl-[6-[(4-carboxy-2-methyl-phenyl)methoxy]indan-5-yl]-sulfonyl-ammonium CAS Name: [6-[(4-carboxy-2-methylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]-prop-2-enyl-sulfonylammonium IUPAC Name: [6-[(4-carboxy-2-methylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]-prop-2-enyl-sulfonylazanium Traditional Name: allyl-[6-(4-carboxy-2-methyl-benzyl)oxyindan-5-yl]-sulfonyl-ammonium Formula: C21H22NO5S+ MolecularWeight: 400.46808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5S/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/h3,7-8,10-12H,1,4-6,9,13H2,2H3/p+1