heptane; methanol; methylbenzene; oct-1-ene; thiophene

Systemtic Name: heptane; methanol; methylbenzene; oct-1-ene; thiophene Openeye Name: heptane; methanol; oct-1-ene; thiophene; toluene CAS Name: heptane; methanol; 1-octene; thiophene; toluene IUPAC Name: heptane; methanol; oct-1-ene; thiophene; toluene Traditional Name: methanol; n-heptane; oct-1-ene; thiophene; toluene Formula: C27H48OS MolecularWeight: 420.73442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC.CCCCCCC=C.CC1=CC=CC=C1.CO.C1=CSC=C1

Isomeric SMILES

CCCCCCC.CCCCCCC=C.CC1=CC=CC=C1.CO.C1=CSC=C1

InChI

InChI=1S/C8H16.C7H8.C7H16.C4H4S.CH4O/c1-3-5-7-8-6-4-2;1-7-5-3-2-4-6-7;1-3-5-7-6-4-2;1-2-4-5-3-1;1-2/h3H,1,4-8H2,2H3;2-6H,1H3;3-7H2,1-2H3;1-4H;2H,1H3