naphthalene-2-sulfonic acid; 1-(4-phenethyl-1-benzofuran-7-yl)propan-2-amine

Systemtic Name: naphthalene-2-sulfonic acid; 1-(4-phenethyl-1-benzofuran-7-yl)propan-2-amine Openeye Name: naphthalene-2-sulfonic acid; 1-(4-phenethylbenzofuran-7-yl)propan-2-amine CAS Name: 2-naphthalenesulfonic acid; 1-(4-phenethyl-7-benzofuranyl)-2-propanamine IUPAC Name: naphthalene-2-sulfonic acid; 1-(4-phenethyl-1-benzofuran-7-yl)propan-2-amine Traditional Name: [1-methyl-2-(4-phenethylbenzofuran-7-yl)ethyl]amine; naphthalene-2-sulfonic acid Formula: C29H29NO4S MolecularWeight: 487.60986

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C2C(=C(C=C1)CCC3=CC=CC=C3)C=CO2)N.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

Isomeric SMILES

CC(CC1=C2C(=C(C=C1)CCC3=CC=CC=C3)C=CO2)N.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

InChI

InChI=1S/C19H21NO.C10H8O3S/c1-14(20)13-17-10-9-16(18-11-12-21-19(17)18)8-7-15-5-3-2-4-6-15;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h2-6,9-12,14H,7-8,13,20H2,1H3;1-7H,(H,11,12,13)