sodium 3-(phenylmethyl)-7-propan-2-yl-azulene-1-sulfonate

Systemtic Name: sodium 3-(phenylmethyl)-7-propan-2-yl-azulene-1-sulfonate Openeye Name: sodium 3-benzyl-7-isopropyl-azulene-1-sulfonate CAS Name: sodium 3-(phenylmethyl)-7-propan-2-yl-1-azulenesulfonate IUPAC Name: sodium 3-benzyl-7-propan-2-ylazulene-1-sulfonate Traditional Name: sodium 3-benzyl-7-isopropyl-azulene-1-sulfonate Formula: C20H19NaO3S MolecularWeight: 362.41783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C(C=C(C2=C1)S(=O)(=O)[O-])CC3=CC=CC=C3.[Na+]

Isomeric SMILES

CC(C)C1=CC=CC2=C(C=C(C2=C1)S(=O)(=O)[O-])CC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C20H20O3S.Na/c1-14(2)16-9-6-10-18-17(11-15-7-4-3-5-8-15)13-20(19(18)12-16)24(21,22)23;/h3-10,12-14H,11H2,1-2H3,(H,21,22,23);/q;+1/p-1