sodium 1,4-dimethyl-7-propan-2-yl-3-sulfinato-azulene

Systemtic Name: sodium 1,4-dimethyl-7-propan-2-yl-3-sulfinato-azulene Openeye Name: sodium 7-isopropyl-1,4-dimethyl-3-sulfinato-azulene CAS Name: sodium 1,4-dimethyl-7-propan-2-yl-3-sulfinatoazulene IUPAC Name: sodium 1,4-dimethyl-7-propan-2-yl-3-sulfinatoazulene Traditional Name: sodium 7-isopropyl-1,4-dimethyl-3-sulfinato-azulene Formula: C15H17NaO2S MolecularWeight: 284.34905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)[S-](=O)=O.[Na+]

Isomeric SMILES

CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)[S-](=O)=O.[Na+]

InChI

InChI=1S/C15H17O2S.Na/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)18(16)17;/h5-9H,1-4H3;/q-1;+1