[4-[5-(1-benzofuran-2-yl)-4-methyl-6-methylidene-cyclohexa-1,4-dien-1-yl]-2-methyl-phenyl]-diethyl-(3-sulfopropyl)azanium

Systemtic Name: [4-[5-(1-benzofuran-2-yl)-4-methyl-6-methylidene-cyclohexa-1,4-dien-1-yl]-2-methyl-phenyl]-diethyl-(3-sulfopropyl)azanium Openeye Name: [4-[5-(benzofuran-2-yl)-4-methyl-6-methylene-cyclohexa-1,4-dien-1-yl]-2-methyl-phenyl]-diethyl-(3-sulfopropyl)ammonium CAS Name: [4-[5-(2-benzofuranyl)-4-methyl-6-methylene-1-cyclohexa-1,4-dienyl]-2-methylphenyl]-diethyl-(3-sulfopropyl)ammonium IUPAC Name: [4-[5-(1-benzofuran-2-yl)-4-methyl-6-methylidenecyclohexa-1,4-dien-1-yl]-2-methylphenyl]-diethyl-(3-sulfopropyl)azanium Traditional Name: [4-[5-(benzofuran-2-yl)-4-methyl-6-methylene-cyclohexa-1,4-dien-1-yl]-2-methyl-phenyl]-diethyl-(3-sulfopropyl)ammonium Formula: C30H36NO4S+ MolecularWeight: 506.67614

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCCS(=O)(=O)O)C1=C(C=C(C=C1)C2=CCC(=C(C2=C)C3=CC4=CC=CC=C4O3)C)C

Isomeric SMILES

CC[N+](CC)(CCCS(=O)(=O)O)C1=C(C=C(C=C1)C2=CCC(=C(C2=C)C3=CC4=CC=CC=C4O3)C)C

InChI

InChI=1S/C30H35NO4S/c1-6-31(7-2,17-10-18-36(32,33)34)27-16-14-24(19-22(27)4)26-15-13-21(3)30(23(26)5)29-20-25-11-8-9-12-28(25)35-29/h8-9,11-12,14-16,19-20H,5-7,10,13,17-18H2,1-4H3/p+1